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

C14H19BrN2O — CID 104914385

IUPAC(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCCN1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/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
InChIKeyLNJJALLSRXCJEM-GWCFXTLKSA-N
MW311.22 g/mol
LogP2.77
Rot. Bonds3

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

(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide (PubChem CID 104914385) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
PubChem CID104914385
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CCCCN1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/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
InChIKeyLNJJALLSRXCJEM-GWCFXTLKSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
N-[1-(2-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 54862061
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
(2S)-N-[1-(2-methoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119683030
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
(2R)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 103808923
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
N-[1-(2-bromophenyl)propan-2-yl]piperidine-2-carboxamide;hydrochloride
CID 119341127
(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
CID 103809894

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide (CID 104914385) is (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CCCCN1)c1ccccc1Br.
What is the InChIKey of (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is LNJJALLSRXCJEM-GWCFXTLKSA-N. The full InChI is InChI=1S/C14H19BrN2O/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 (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide?
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 104914385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).