1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide

C29H43N5O4 — CID 130200638

IUPAC1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C(N)=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H43N5O4/c1-31(2)29(23-7-4-3-5-8-23)15-13-27(14-16-29)20-33(26(37)34(27)21-28(38)11-6-12-28)19-24(35)32-17-9-22(10-18-32)25(30)36/h3-5,7-8,22,38H,6,9-21H2,1-2H3,(H2,30,36)
InChIKeyUJGBWKYABNDDFX-UHFFFAOYSA-N
MW525.69 g/mol
LogP2.13
Rot. Bonds7

About 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide

1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide (PubChem CID 130200638) has the molecular formula C29H43N5O4 and a molecular weight of 525.69 g/mol. Its IUPAC name is 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide
PubChem CID130200638
Molecular FormulaC29H43N5O4
Molecular Weight525.69 g/mol
Exact Mass525.33
IUPAC Name1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C(N)=O)CC1)C(=O)N2CC1(O)CCC1
InChIInChI=1S/C29H43N5O4/c1-31(2)29(23-7-4-3-5-8-23)15-13-27(14-16-29)20-33(26(37)34(27)21-28(38)11-6-12-28)19-24(35)32-17-9-22(10-18-32)25(30)36/h3-5,7-8,22,38H,6,9-21H2,1-2H3,(H2,30,36)
InChIKeyUJGBWKYABNDDFX-UHFFFAOYSA-N
XLogP2.13
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.69
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide (CID 130200638) is 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)N1CCC(C(N)=O)CC1)C(=O)N2CC1(O)CCC1.
What is the InChIKey of 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is UJGBWKYABNDDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N5O4/c1-31(2)29(23-7-4-3-5-8-23)15-13-27(14-16-29)20-33(26(37)34(27)21-28(38)11-6-12-28)19-24(35)32-17-9-22(10-18-32)25(30)36/h3-5,7-8,22,38H,6,9-21H2,1-2H3,(H2,30,36).
What are the key properties of 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide?
1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 525.69 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 130200638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).