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

C14H19ClN2O — CID 81378547

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
SMILESC[C@H](NC(=O)C1CCCCN1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(11-6-2-3-7-12(11)15)17-14(18)13-8-4-5-9-16-13/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyIFQCPSPXJDOUQZ-NKUHCKNESA-N
MW266.77 g/mol
LogP2.66
Rot. Bonds3

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

N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide (PubChem CID 81378547) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
PubChem CID81378547
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
SMILESC[C@H](NC(=O)C1CCCCN1)c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10(11-6-2-3-7-12(11)15)17-14(18)13-8-4-5-9-16-13/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1
InChIKeyIFQCPSPXJDOUQZ-NKUHCKNESA-N
XLogP2.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 54862061
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2R)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 103808923
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
(2R)-N-[1-(2,5-difluorophenyl)ethyl]piperidine-2-carboxamide
CID 103808929
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide (CID 81378547) is N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide is C[C@H](NC(=O)C1CCCCN1)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is IFQCPSPXJDOUQZ-NKUHCKNESA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10(11-6-2-3-7-12(11)15)17-14(18)13-8-4-5-9-16-13/h2-3,6-7,10,13,16H,4-5,8-9H2,1H3,(H,17,18)/t10-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 81378547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).