(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide

C15H22N2O — CID 81140463

IUPAC(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O/c1-11-6-3-4-8-14(11)12(2)17-15(18)13-7-5-9-16-10-13/h3-4,6,8,12-13,16H,5,7,9-10H2,1-2H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyXXDPLUNGSZISSP-ABLWVSNPSA-N
MW246.35 g/mol
LogP2.17
Rot. Bonds3

About (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide

(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 81140463) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID81140463
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(C)NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C15H22N2O/c1-11-6-3-4-8-14(11)12(2)17-15(18)13-7-5-9-16-10-13/h3-4,6,8,12-13,16H,5,7,9-10H2,1-2H3,(H,17,18)/t12?,13-/m0/s1
InChIKeyXXDPLUNGSZISSP-ABLWVSNPSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
(3S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 81141408
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-3-carboxamide;hydrochloride
CID 119323136
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
cis-(1S,3R)-3-[[(1S)-1-(2-methylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124552970
(3S)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 81407106
N-[1-(2-methylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686063
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
N-[1-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 43703387

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide (CID 81140463) is (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1ccccc1C(C)NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is XXDPLUNGSZISSP-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-3-4-8-14(11)12(2)17-15(18)13-7-5-9-16-10-13/h3-4,6,8,12-13,16H,5,7,9-10H2,1-2H3,(H,17,18)/t12?,13-/m0/s1.
What are the key properties of (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide?
(3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(2-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 81140463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).