1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one

C34H48N4O4 — CID 134218520

IUPAC1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-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)C(C)(C)C1
InChIInChI=1S/C34H48N4O4/c1-25(20-26-10-6-4-7-11-26)31(40)37-17-14-34(42,33(2,3)23-37)24-38-22-29(32(41)36-18-15-35-16-19-36)28(21-30(38)39)27-12-8-5-9-13-27/h5,8-9,12-13,21-22,25-26,35,42H,4,6-7,10-11,14-20,23-24H2,1-3H3/t25-,34-/m1/s1
InChIKeyRCKRBLQTXSFTRS-QCBOHVIISA-N
MW576.78 g/mol
LogP4.16
Rot. Bonds7

About 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one

1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 134218520) has the molecular formula C34H48N4O4 and a molecular weight of 576.78 g/mol. Its IUPAC name is 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
PubChem CID134218520
Molecular FormulaC34H48N4O4
Molecular Weight576.78 g/mol
Exact Mass576.37
IUPAC Name1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-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)C(C)(C)C1
InChIInChI=1S/C34H48N4O4/c1-25(20-26-10-6-4-7-11-26)31(40)37-17-14-34(42,33(2,3)23-37)24-38-22-29(32(41)36-18-15-35-16-19-36)28(21-30(38)39)27-12-8-5-9-13-27/h5,8-9,12-13,21-22,25-26,35,42H,4,6-7,10-11,14-20,23-24H2,1-3H3/t25-,34-/m1/s1
InChIKeyRCKRBLQTXSFTRS-QCBOHVIISA-N
XLogP4.16
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.78
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-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-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one (CID 134218520) is 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-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)C(C)(C)C1.
What is the InChIKey of 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
The InChIKey is RCKRBLQTXSFTRS-QCBOHVIISA-N. The full InChI is InChI=1S/C34H48N4O4/c1-25(20-26-10-6-4-7-11-26)31(40)37-17-14-34(42,33(2,3)23-37)24-38-22-29(32(41)36-18-15-35-16-19-36)28(21-30(38)39)27-12-8-5-9-13-27/h5,8-9,12-13,21-22,25-26,35,42H,4,6-7,10-11,14-20,23-24H2,1-3H3/t25-,34-/m1/s1.
What are the key properties of 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one?
1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 576.78 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 134218520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).