(3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide

C25H32N2O3 — CID 11668666

IUPAC(3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CCCN(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C25H32N2O3/c28-23-13-11-21(12-14-23)26-25(29)20-8-5-15-27(17-20)22-9-4-10-24(16-22)30-18-19-6-2-1-3-7-19/h1-4,6-7,9-10,16,20-21,23,28H,5,8,11-15,17-18H2,(H,26,29)/t20-,21?,23?/m0/s1
InChIKeyNODJDBZYKIIBAU-ZJOBEGKPSA-N
MW408.54 g/mol
LogP3.90
Rot. Bonds6

About (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide

(3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide (PubChem CID 11668666) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide
PubChem CID11668666
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@H]1CCCN(c2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C25H32N2O3/c28-23-13-11-21(12-14-23)26-25(29)20-8-5-15-27(17-20)22-9-4-10-24(16-22)30-18-19-6-2-1-3-7-19/h1-4,6-7,9-10,16,20-21,23,28H,5,8,11-15,17-18H2,(H,26,29)/t20-,21?,23?/m0/s1
InChIKeyNODJDBZYKIIBAU-ZJOBEGKPSA-N
XLogP3.90
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
1-[phenyl-(3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 4595272
1-(4-hydroxycyclohexyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300487
1-[3-(azepan-1-yl)phenyl]-3-(4-hydroxycyclohexyl)urea
CID 75533666
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N-[1-(4-phenylmethoxyphenyl)pyrrolidin-3-yl]acetamide
CID 138534083
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide (CID 11668666) is (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide is O=C(NC1CCC(O)CC1)[C@H]1CCCN(c2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is NODJDBZYKIIBAU-ZJOBEGKPSA-N. The full InChI is InChI=1S/C25H32N2O3/c28-23-13-11-21(12-14-23)26-25(29)20-8-5-15-27(17-20)22-9-4-10-24(16-22)30-18-19-6-2-1-3-7-19/h1-4,6-7,9-10,16,20-21,23,28H,5,8,11-15,17-18H2,(H,26,29)/t20-,21?,23?/m0/s1.
What are the key properties of (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide?
(3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 408.54 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-hydroxycyclohexyl)-1-(3-phenylmethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 11668666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).