(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide

C20H29N3O2 — CID 94798301

IUPAC(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESNC(=O)c1cccc(CN2CCC[C@H](C(=O)NC3CCCCC3)C2)c1
InChIInChI=1S/C20H29N3O2/c21-19(24)16-7-4-6-15(12-16)13-23-11-5-8-17(14-23)20(25)22-18-9-2-1-3-10-18/h4,6-7,12,17-18H,1-3,5,8-11,13-14H2,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyQCWXNIGHHCZWSC-KRWDZBQOSA-N
MW343.47 g/mol
LogP2.45
Rot. Bonds5

About (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide

(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 94798301) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
PubChem CID94798301
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESNC(=O)c1cccc(CN2CCC[C@H](C(=O)NC3CCCCC3)C2)c1
InChIInChI=1S/C20H29N3O2/c21-19(24)16-7-4-6-15(12-16)13-23-11-5-8-17(14-23)20(25)22-18-9-2-1-3-10-18/h4,6-7,12,17-18H,1-3,5,8-11,13-14H2,(H2,21,24)(H,22,25)/t17-/m0/s1
InChIKeyQCWXNIGHHCZWSC-KRWDZBQOSA-N
XLogP2.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918586
1-[(3-bromophenyl)methyl]-N-cyclooctylpiperidine-3-carboxamide
CID 43925877
3-[(3-formylpiperidin-1-yl)methyl]benzamide
CID 62656741
3-[[3-(1-aminoethyl)piperidin-1-yl]methyl]benzamide;hydrochloride
CID 119925700
1-benzyl-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60562957
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 119611972
1-benzyl-N-piperidin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119389750
ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 47802432
N-[2-(aminomethyl)cyclohexyl]-1-[(3-fluorophenyl)methyl]piperidine-3-carboxamide;dihydrochloride
CID 119611971
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
methyl 3-[[3-(2-aminoethylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 120837370
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide (CID 94798301) is (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide is NC(=O)c1cccc(CN2CCC[C@H](C(=O)NC3CCCCC3)C2)c1.
What is the InChIKey of (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is QCWXNIGHHCZWSC-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O2/c21-19(24)16-7-4-6-15(12-16)13-23-11-5-8-17(14-23)20(25)22-18-9-2-1-3-10-18/h4,6-7,12,17-18H,1-3,5,8-11,13-14H2,(H2,21,24)(H,22,25)/t17-/m0/s1.
What are the key properties of (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide?
(3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-carbamoylphenyl)methyl]-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 94798301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).