(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide

C14H19BrN2O — CID 103809894

IUPAC(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-10(11-5-7-12(15)8-6-11)17-14(18)13-4-2-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-/m1/s1
InChIKeyQTLZBNBADBZVRR-JLOHTSLTSA-N
MW311.22 g/mol
LogP2.77
Rot. Bonds3

About (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide

(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide (PubChem CID 103809894) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
PubChem CID103809894
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)[C@H]1CCCCN1)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O/c1-10(11-5-7-12(15)8-6-11)17-14(18)13-4-2-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-/m1/s1
InChIKeyQTLZBNBADBZVRR-JLOHTSLTSA-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

(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1R)-1-phenylethyl]azepane-2-carboxamide
CID 78996687
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914374
(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
N-[(1R)-1-(3-bromophenyl)ethyl]azepane-2-carboxamide
CID 81375889
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide (CID 103809894) is (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide is CC(NC(=O)[C@H]1CCCCN1)c1ccc(Br)cc1.
What is the InChIKey of (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide?
The InChIKey is QTLZBNBADBZVRR-JLOHTSLTSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(11-5-7-12(15)8-6-11)17-14(18)13-4-2-3-9-16-13/h5-8,10,13,16H,2-4,9H2,1H3,(H,17,18)/t10?,13-/m1/s1.
What are the key properties of (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide?
(2R)-N-[1-(4-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 (2R)-N-[1-(4-bromophenyl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 103809894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).