(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide

C20H29N3O3 — CID 94653786

IUPAC(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C(=O)c1ccccc1NC(=O)N1CCC[C@H](O)C1)C1CCCCC1
InChIInChI=1S/C20H29N3O3/c1-22(15-8-3-2-4-9-15)19(25)17-11-5-6-12-18(17)21-20(26)23-13-7-10-16(24)14-23/h5-6,11-12,15-16,24H,2-4,7-10,13-14H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeySTMCIWJCRLIJPB-INIZCTEOSA-N
MW359.47 g/mol
LogP3.08
Rot. Bonds3

About (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide

(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 94653786) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID94653786
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide
SMILESCN(C(=O)c1ccccc1NC(=O)N1CCC[C@H](O)C1)C1CCCCC1
InChIInChI=1S/C20H29N3O3/c1-22(15-8-3-2-4-9-15)19(25)17-11-5-6-12-18(17)21-20(26)23-13-7-10-16(24)14-23/h5-6,11-12,15-16,24H,2-4,7-10,13-14H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeySTMCIWJCRLIJPB-INIZCTEOSA-N
XLogP3.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(cyclopropanecarbonylamino)-N-methylbenzamide
CID 4938931
(3S)-3-hydroxy-N-[2-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 94081574
N-cyclohexyl-2-[(2-methoxybenzoyl)amino]-N-methylbenzamide
CID 4938981
3,5-dichloro-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]benzamide
CID 17133511
N-cyclohexyl-N-methyl-2-[(3-methylbenzoyl)amino]benzamide
CID 4938871
N-cyclohexyl-N-methyl-2-(2-methylpropanoylcarbamothioylamino)benzamide
CID 4939111
N-cyclohexyl-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]benzamide
CID 4938970
N-cyclohexyl-N-methyl-2-[[4-(3-methylbutoxy)benzoyl]amino]benzamide
CID 4948334
N-cyclohexyl-N-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119741232
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682
methyl 2-[[(3R)-3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 25460964
N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide
CID 154775138

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide (CID 94653786) is (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide is CN(C(=O)c1ccccc1NC(=O)N1CCC[C@H](O)C1)C1CCCCC1.
What is the InChIKey of (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is STMCIWJCRLIJPB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-22(15-8-3-2-4-9-15)19(25)17-11-5-6-12-18(17)21-20(26)23-13-7-10-16(24)14-23/h5-6,11-12,15-16,24H,2-4,7-10,13-14H2,1H3,(H,21,26)/t16-/m0/s1.
What are the key properties of (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide?
(3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-[cyclohexyl(methyl)carbamoyl]phenyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 94653786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).