bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C139H211N19O14S3 — CID 162025274

IUPACbis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3ccncc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)N1CCCC1=O)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)N1CCCS1(=O)=O)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)S(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)S(C)(=O)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C30H41N5O.C29H44N4O3.C28H44N4O4S.2C26H41N3O3S/c1-32(2)30(25-6-4-3-5-7-25)16-14-29(15-17-30)23-34(28(36)35(29)22-24-8-9-24)27-12-20-33(21-13-27)26-10-18-31-19-11-26;1-26(2,32-19-8-12-24(32)34)20-31-21-27(33(25(31)35)22-28(36)13-9-14-28)15-17-29(18-16-27,30(3)4)23-10-6-5-7-11-23;1-25(2,32-18-9-19-37(32,35)36)20-30-21-26(31(24(30)33)22-27(34)12-8-13-27)14-16-28(17-15-26,29(3)4)23-10-6-5-7-11-23;2*1-24(2,33(5,31)32)19-28-20-25(29(23(28)30)18-21-10-9-11-21)14-16-26(17-15-25,27(3)4)22-12-7-6-8-13-22/h3-7,10-11,18-19,24,27H,8-9,12-17,20-23H2,1-2H3;5-7,10-11,36H,8-9,12-22H2,1-4H3;5-7,10-11,34H,8-9,12-22H2,1-4H3;2*6-8,12-13,21H,9-11,14-20H2,1-5H3
InChIKeyYVHCJMQBPMJKBG-UHFFFAOYSA-N
MW2468.54 g/mol
LogP20.24
Rot. Bonds34

About bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 162025274) has the molecular formula C139H211N19O14S3 and a molecular weight of 2468.54 g/mol. Its IUPAC name is bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Namebis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID162025274
Molecular FormulaC139H211N19O14S3
Molecular Weight2468.54 g/mol
Exact Mass2466.55
IUPAC Namebis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3ccncc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)N1CCCC1=O)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)N1CCCS1(=O)=O)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)S(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)S(C)(=O)=O)C(=O)N2CC1CCC1
InChIInChI=1S/C30H41N5O.C29H44N4O3.C28H44N4O4S.2C26H41N3O3S/c1-32(2)30(25-6-4-3-5-7-25)16-14-29(15-17-30)23-34(28(36)35(29)22-24-8-9-24)27-12-20-33(21-13-27)26-10-18-31-19-11-26;1-26(2,32-19-8-12-24(32)34)20-31-21-27(33(25(31)35)22-28(36)13-9-14-28)15-17-29(18-16-27,30(3)4)23-10-6-5-7-11-23;1-25(2,32-18-9-19-37(32,35)36)20-30-21-26(31(24(30)33)22-27(34)12-8-13-27)14-16-28(17-15-26,29(3)4)23-10-6-5-7-11-23;2*1-24(2,33(5,31)32)19-28-20-25(29(23(28)30)18-21-10-9-11-21)14-16-26(17-15-25,27(3)4)22-12-7-6-8-13-22/h3-7,10-11,18-19,24,27H,8-9,12-17,20-23H2,1-2H3;5-7,10-11,36H,8-9,12-22H2,1-4H3;5-7,10-11,34H,8-9,12-22H2,1-4H3;2*6-8,12-13,21H,9-11,14-20H2,1-5H3
InChIKeyYVHCJMQBPMJKBG-UHFFFAOYSA-N
XLogP20.24
TPSA316.51 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds34
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002468.54
LogP ≤ 520.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 162025274) is bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3ccncc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)N1CCCC1=O)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)N1CCCS1(=O)=O)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)S(C)(=O)=O)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(C)(C)S(C)(=O)=O)C(=O)N2CC1CCC1.
What is the InChIKey of bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is YVHCJMQBPMJKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O.C29H44N4O3.C28H44N4O4S.2C26H41N3O3S/c1-32(2)30(25-6-4-3-5-7-25)16-14-29(15-17-30)23-34(28(36)35(29)22-24-8-9-24)27-12-20-33(21-13-27)26-10-18-31-19-11-26;1-26(2,32-19-8-12-24(32)34)20-31-21-27(33(25(31)35)22-28(36)13-9-14-28)15-17-29(18-16-27,30(3)4)23-10-6-5-7-11-23;1-25(2,32-18-9-19-37(32,35)36)20-30-21-26(31(24(30)33)22-27(34)12-8-13-27)14-16-28(17-15-26,29(3)4)23-10-6-5-7-11-23;2*1-24(2,33(5,31)32)19-28-20-25(29(23(28)30)18-21-10-9-11-21)14-16-26(17-15-25,27(3)4)22-12-7-6-8-13-22/h3-7,10-11,18-19,24,27H,8-9,12-17,20-23H2,1-2H3;5-7,10-11,36H,8-9,12-22H2,1-4H3;5-7,10-11,34H,8-9,12-22H2,1-4H3;2*6-8,12-13,21H,9-11,14-20H2,1-5H3.
What are the key properties of bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 2468.54 g/mol, XLogP of 20.24, 34 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(cyclobutylmethyl)-8-(dimethylamino)-3-(2-methyl-2-methylsulfonylpropyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylpropyl]-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-[2-methyl-2-(2-oxopyrrolidin-1-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 162025274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).