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

C14H19BrN2O — CID 43701759

IUPACN-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10(12-4-2-3-5-13(12)15)17-14(18)11-6-8-16-9-7-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyMEDOXTRVGRTTDY-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.63
Rot. Bonds3

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

N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 43701759) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
PubChem CID43701759
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCNCC1)c1ccccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10(12-4-2-3-5-13(12)15)17-14(18)11-6-8-16-9-7-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18)
InChIKeyMEDOXTRVGRTTDY-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
4-(aminomethyl)-N-[(1S)-1-(2-bromophenyl)ethyl]cyclohexane-1-carboxamide
CID 81397693
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-[1-(2,3-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 119327095
N-[1-(2-bromophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 73389762
N-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 102777686
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]piperidine-2-carboxamide
CID 104914385
N-[(1S)-1-(2-bromophenyl)ethyl]azepane-2-carboxamide
CID 81397881
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide (CID 43701759) is N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCNCC1)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is MEDOXTRVGRTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10(12-4-2-3-5-13(12)15)17-14(18)11-6-8-16-9-7-11/h2-5,10-11,16H,6-9H2,1H3,(H,17,18).
What are the key properties of N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide?
N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43701759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).