2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile

C91H98N12O6 — CID 162043028

IUPAC2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
SMILESCN(C)C(=O)C(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1.N#CC(CCN1CCC2(CC1)C(=O)N(CC(=O)O)CN2c1ccccc1)(c1ccccc1)c1ccccc1.N#CC(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N4O3.C31H36N4O2.C29H30N4O/c32-23-30(25-10-4-1-5-11-25,26-12-6-2-7-13-26)16-19-33-20-17-31(18-21-33)29(38)34(22-28(36)37)24-35(31)27-14-8-3-9-15-27;1-33(2)29(37)31(25-12-6-3-7-13-25,26-14-8-4-9-15-26)20-23-34-21-18-30(19-22-34)28(36)32-24-35(30)27-16-10-5-11-17-27;30-22-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)16-19-32-20-17-29(18-21-32)27(34)31-23-33(29)26-14-8-3-9-15-26/h1-15H,16-22,24H2,(H,36,37);3-17H,18-24H2,1-2H3,(H,32,36);1-15H,16-21,23H2,(H,31,34)
InChIKeyYXNLETBOTXCOGT-UHFFFAOYSA-N
MW1455.86 g/mol
LogP12.31
Rot. Bonds21

About 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile

2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile (PubChem CID 162043028) has the molecular formula C91H98N12O6 and a molecular weight of 1455.86 g/mol. Its IUPAC name is 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile.

Molecular Properties

Compound Name2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
PubChem CID162043028
Molecular FormulaC91H98N12O6
Molecular Weight1455.86 g/mol
Exact Mass1454.77
IUPAC Name2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
SMILESCN(C)C(=O)C(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1.N#CC(CCN1CCC2(CC1)C(=O)N(CC(=O)O)CN2c1ccccc1)(c1ccccc1)c1ccccc1.N#CC(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H32N4O3.C31H36N4O2.C29H30N4O/c32-23-30(25-10-4-1-5-11-25,26-12-6-2-7-13-26)16-19-33-20-17-31(18-21-33)29(38)34(22-28(36)37)24-35(31)27-14-8-3-9-15-27;1-33(2)29(37)31(25-12-6-3-7-13-25,26-14-8-4-9-15-26)20-23-34-21-18-30(19-22-34)28(36)32-24-35(30)27-16-10-5-11-17-27;30-22-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)16-19-32-20-17-29(18-21-32)27(34)31-23-33(29)26-14-8-3-9-15-26/h1-15H,16-22,24H2,(H,36,37);3-17H,18-24H2,1-2H3,(H,32,36);1-15H,16-21,23H2,(H,31,34)
InChIKeyYXNLETBOTXCOGT-UHFFFAOYSA-N
XLogP12.31
TPSA203.14 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001455.86
LogP ≤ 512.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile with MolForge

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Related Compounds

methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile
CID 161050495
5-[8-[4-(dimethylamino)-4-oxo-3,3-diphenylbutyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 10461152
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750
4-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-diphenylbutanenitrile
CID 154841334
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
4-[4-(N-ethylanilino)-4-prop-1-en-2-ylpiperidin-1-yl]-2,2-diphenylbutanenitrile
CID 89211247
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3958901
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 23377559
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
CID 142899302
8-[4-[4-(1,1-difluoroethyl)phenyl]-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 157224254
N,N-dimethyl-2,2-diphenyl-4-[4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide;methane
CID 160557424

Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
The IUPAC name of 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile (CID 162043028) is 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile.
What is the SMILES notation for 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
The canonical SMILES for 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile is CN(C)C(=O)C(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1.N#CC(CCN1CCC2(CC1)C(=O)N(CC(=O)O)CN2c1ccccc1)(c1ccccc1)c1ccccc1.N#CC(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
The InChIKey is YXNLETBOTXCOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3.C31H36N4O2.C29H30N4O/c32-23-30(25-10-4-1-5-11-25,26-12-6-2-7-13-26)16-19-33-20-17-31(18-21-33)29(38)34(22-28(36)37)24-35(31)27-14-8-3-9-15-27;1-33(2)29(37)31(25-12-6-3-7-13-25,26-14-8-4-9-15-26)20-23-34-21-18-30(19-22-34)28(36)32-24-35(30)27-16-10-5-11-17-27;30-22-28(24-10-4-1-5-11-24,25-12-6-2-7-13-25)16-19-32-20-17-29(18-21-32)27(34)31-23-33(29)26-14-8-3-9-15-26/h1-15H,16-22,24H2,(H,36,37);3-17H,18-24H2,1-2H3,(H,32,36);1-15H,16-21,23H2,(H,31,34).
What are the key properties of 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile?
2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile has a molecular weight of 1455.86 g/mol, XLogP of 12.31, 21 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-cyano-3,3-diphenylpropyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid;N,N-dimethyl-4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanamide;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanenitrile is sourced from PubChem (CID 162043028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).