N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide

C15H22N2O — CID 81355602

IUPACN-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C15H22N2O/c1-11-6-8-13(9-7-11)12(2)17-15(18)14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10H2,1-2H3,(H,17,18)/t12-,14?/m0/s1
InChIKeyKAYYRMNGWXCLBS-NBFOIZRFSA-N
MW246.35 g/mol
LogP2.31
Rot. Bonds3

About N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide

N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide (PubChem CID 81355602) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
PubChem CID81355602
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)C2CCCCN2)cc1
InChIInChI=1S/C15H22N2O/c1-11-6-8-13(9-7-11)12(2)17-15(18)14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10H2,1-2H3,(H,17,18)/t12-,14?/m0/s1
InChIKeyKAYYRMNGWXCLBS-NBFOIZRFSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-2-carboxamide
CID 43705280
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
(2R)-N-[(1R)-1-[4-(difluoromethyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 175925248
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-2-carboxamide
CID 119288580

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide (CID 81355602) is N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide is Cc1ccc([C@H](C)NC(=O)C2CCCCN2)cc1.
What is the InChIKey of N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is KAYYRMNGWXCLBS-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-8-13(9-7-11)12(2)17-15(18)14-5-3-4-10-16-14/h6-9,12,14,16H,3-5,10H2,1-2H3,(H,17,18)/t12-,14?/m0/s1.
What are the key properties of N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide?
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 81355602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).