bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C83H104N10O6 — CID 91223642

IUPACbis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CN1CN(c2ccccc2)C2(CCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1.O=C(CN1CN(c2ccccc2)C2(CCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1.O=C(CN1CN(c2ccccc2)C2(CCNCC2)C1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/2C28H35N3O2.C27H34N4O2/c2*32-26(29-18-14-24(15-19-29)20-23-10-4-1-5-11-23)21-30-22-31(25-12-6-2-7-13-25)28(27(30)33)16-8-3-9-17-28;32-25(29-17-11-23(12-18-29)19-22-7-3-1-4-8-22)20-30-21-31(24-9-5-2-6-10-24)27(26(30)33)13-15-28-16-14-27/h2*1-2,4-7,10-13,24H,3,8-9,14-22H2;1-10,23,28H,11-21H2
InChIKeyFHFSILUBHMJVDJ-UHFFFAOYSA-N
MW1337.81 g/mol
LogP11.85
Rot. Bonds15

About bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 91223642) has the molecular formula C83H104N10O6 and a molecular weight of 1337.81 g/mol. Its IUPAC name is bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Namebis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID91223642
Molecular FormulaC83H104N10O6
Molecular Weight1337.81 g/mol
Exact Mass1336.81
IUPAC Namebis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CN1CN(c2ccccc2)C2(CCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1.O=C(CN1CN(c2ccccc2)C2(CCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1.O=C(CN1CN(c2ccccc2)C2(CCNCC2)C1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/2C28H35N3O2.C27H34N4O2/c2*32-26(29-18-14-24(15-19-29)20-23-10-4-1-5-11-23)21-30-22-31(25-12-6-2-7-13-25)28(27(30)33)16-8-3-9-17-28;32-25(29-17-11-23(12-18-29)19-22-7-3-1-4-8-22)20-30-21-31(24-9-5-2-6-10-24)27(26(30)33)13-15-28-16-14-27/h2*1-2,4-7,10-13,24H,3,8-9,14-22H2;1-10,23,28H,11-21H2
InChIKeyFHFSILUBHMJVDJ-UHFFFAOYSA-N
XLogP11.85
TPSA143.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001337.81
LogP ≤ 511.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 91223642) is bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C(CN1CN(c2ccccc2)C2(CCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1.O=C(CN1CN(c2ccccc2)C2(CCCCC2)C1=O)N1CCC(Cc2ccccc2)CC1.O=C(CN1CN(c2ccccc2)C2(CCNCC2)C1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is FHFSILUBHMJVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H35N3O2.C27H34N4O2/c2*32-26(29-18-14-24(15-19-29)20-23-10-4-1-5-11-23)21-30-22-31(25-12-6-2-7-13-25)28(27(30)33)16-8-3-9-17-28;32-25(29-17-11-23(12-18-29)19-22-7-3-1-4-8-22)20-30-21-31(24-9-5-2-6-10-24)27(26(30)33)13-15-28-16-14-27/h2*1-2,4-7,10-13,24H,3,8-9,14-22H2;1-10,23,28H,11-21H2.
What are the key properties of bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 1337.81 g/mol, XLogP of 11.85, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 91223642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).