1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one

C36H50N4O4 — CID 134218574

IUPAC1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C36H50N4O4/c1-27(22-28-10-4-2-5-11-28)33(42)39-19-16-36(44,35(25-39)14-8-9-15-35)26-40-24-31(34(43)38-20-17-37-18-21-38)30(23-32(40)41)29-12-6-3-7-13-29/h3,6-7,12-13,23-24,27-28,37,44H,2,4-5,8-11,14-22,25-26H2,1H3/t27-,36-/m1/s1
InChIKeyXWIQOVNJMQOLQO-CXNHSUMOSA-N
MW602.82 g/mol
LogP4.69
Rot. Bonds7

About 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one

1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 134218574) has the molecular formula C36H50N4O4 and a molecular weight of 602.82 g/mol. Its IUPAC name is 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
PubChem CID134218574
Molecular FormulaC36H50N4O4
Molecular Weight602.82 g/mol
Exact Mass602.38
IUPAC Name1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C36H50N4O4/c1-27(22-28-10-4-2-5-11-28)33(42)39-19-16-36(44,35(25-39)14-8-9-15-35)26-40-24-31(34(43)38-20-17-37-18-21-38)30(23-32(40)41)29-12-6-3-7-13-29/h3,6-7,12-13,23-24,27-28,37,44H,2,4-5,8-11,14-22,25-26H2,1H3/t27-,36-/m1/s1
InChIKeyXWIQOVNJMQOLQO-CXNHSUMOSA-N
XLogP4.69
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.82
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one (CID 134218574) is 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
The InChIKey is XWIQOVNJMQOLQO-CXNHSUMOSA-N. The full InChI is InChI=1S/C36H50N4O4/c1-27(22-28-10-4-2-5-11-28)33(42)39-19-16-36(44,35(25-39)14-8-9-15-35)26-40-24-31(34(43)38-20-17-37-18-21-38)30(23-32(40)41)29-12-6-3-7-13-29/h3,6-7,12-13,23-24,27-28,37,44H,2,4-5,8-11,14-22,25-26H2,1H3/t27-,36-/m1/s1.
What are the key properties of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 602.82 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 134218574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).