N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide

C24H38N2O3 — CID 140659217

IUPACN-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide
SMILESCC1CCC(CCC2CCNC(C(=O)N[C@@H](CO)[C@H](O)c3ccccc3)C2)CC1
InChIInChI=1S/C24H38N2O3/c1-17-7-9-18(10-8-17)11-12-19-13-14-25-21(15-19)24(29)26-22(16-27)23(28)20-5-3-2-4-6-20/h2-6,17-19,21-23,25,27-28H,7-16H2,1H3,(H,26,29)/t17?,18?,19?,21?,22-,23+/m0/s1
InChIKeySFHDHYHBCYMRGT-MJBIRADYSA-N
MW402.58 g/mol
LogP3.17
Rot. Bonds8

About N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide

N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide (PubChem CID 140659217) has the molecular formula C24H38N2O3 and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide
PubChem CID140659217
Molecular FormulaC24H38N2O3
Molecular Weight402.58 g/mol
Exact Mass402.29
IUPAC NameN-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide
SMILESCC1CCC(CCC2CCNC(C(=O)N[C@@H](CO)[C@H](O)c3ccccc3)C2)CC1
InChIInChI=1S/C24H38N2O3/c1-17-7-9-18(10-8-17)11-12-19-13-14-25-21(15-19)24(29)26-22(16-27)23(28)20-5-3-2-4-6-20/h2-6,17-19,21-23,25,27-28H,7-16H2,1H3,(H,26,29)/t17?,18?,19?,21?,22-,23+/m0/s1
InChIKeySFHDHYHBCYMRGT-MJBIRADYSA-N
XLogP3.17
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide with MolForge

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Related Compounds

N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-phenylpiperidine-2-carboxamide
CID 140659220
(2R,4S)-N-[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfanylphenyl)propan-2-yl]-4-[(2S)-2-methylbutyl]piperidine-2-carboxamide
CID 163703815
4-ethyl-N-(1-phenylethyl)piperidine-2-carboxamide
CID 114427805
N-(2,2-dimethyl-1-phenylpropyl)-4-methylpiperidine-2-carboxamide
CID 114423032
(5R)-2-(cyclohexylmethyl)-N-[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-6-azaspiro[2.5]octane-5-carboxamide
CID 163548102
3-[(4-methylpiperidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 115867052
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-2-carboxamide
CID 107863083
N-(1,3-dihydroxybutan-2-yl)-4-(2-methylbutyl)piperidine-2-carboxamide
CID 123499970
4-(2-cyclopropylethyl)-N-ethylpiperidine-2-carboxamide
CID 106779884
N-(1,3-dihydroxy-1-phenylpropan-2-yl)acetamide
CID 11735943
cis-(1R,3S)-N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-3-phenylcyclohexane-1-carboxamide
CID 159352897
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-(2-phenylethyl)piperidine-2-carboxamide
CID 175865078

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide (CID 140659217) is N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide is CC1CCC(CCC2CCNC(C(=O)N[C@@H](CO)[C@H](O)c3ccccc3)C2)CC1.
What is the InChIKey of N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide?
The InChIKey is SFHDHYHBCYMRGT-MJBIRADYSA-N. The full InChI is InChI=1S/C24H38N2O3/c1-17-7-9-18(10-8-17)11-12-19-13-14-25-21(15-19)24(29)26-22(16-27)23(28)20-5-3-2-4-6-20/h2-6,17-19,21-23,25,27-28H,7-16H2,1H3,(H,26,29)/t17?,18?,19?,21?,22-,23+/m0/s1.
What are the key properties of N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide?
N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 3.17, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-4-[2-(4-methylcyclohexyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 140659217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).