(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide

C25H30N2O3 — CID 9398550

IUPAC(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCCCC3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H30N2O3/c1-30-21-14-12-20(13-15-21)27-23(28)17-16-22(24(27)18-8-4-2-5-9-18)25(29)26-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,22,24H,3,6-7,10-11,16-17H2,1H3,(H,26,29)/t22-,24+/m0/s1
InChIKeyXQJKPKZPOBLXOE-LADGPHEKSA-N
MW406.53 g/mol
LogP4.63
Rot. Bonds5

About (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide

(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 9398550) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID9398550
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCCCC3)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C25H30N2O3/c1-30-21-14-12-20(13-15-21)27-23(28)17-16-22(24(27)18-8-4-2-5-9-18)25(29)26-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,22,24H,3,6-7,10-11,16-17H2,1H3,(H,26,29)/t22-,24+/m0/s1
InChIKeyXQJKPKZPOBLXOE-LADGPHEKSA-N
XLogP4.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide (CID 9398550) is (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide is COc1ccc(N2C(=O)CC[C@H](C(=O)NC3CCCCC3)[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is XQJKPKZPOBLXOE-LADGPHEKSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-30-21-14-12-20(13-15-21)27-23(28)17-16-22(24(27)18-8-4-2-5-9-18)25(29)26-19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19,22,24H,3,6-7,10-11,16-17H2,1H3,(H,26,29)/t22-,24+/m0/s1.
What are the key properties of (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide?
(2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-cyclohexyl-1-(4-methoxyphenyl)-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 9398550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).