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

C14H19BrN2O — CID 82135396

IUPACN-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c15-13-3-1-11(2-4-13)5-10-17-14(18)12-6-8-16-9-7-12/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeyXYPKNMYIPHGXPQ-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.11
Rot. Bonds4

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

N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 82135396) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
PubChem CID82135396
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(Br)cc1)C1CCNCC1
InChIInChI=1S/C14H19BrN2O/c15-13-3-1-11(2-4-13)5-10-17-14(18)12-6-8-16-9-7-12/h1-4,12,16H,5-10H2,(H,17,18)
InChIKeyXYPKNMYIPHGXPQ-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 82130753
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949
4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
CID 61161224
N-[2-(4-phenylphenyl)ethyl]piperidine-4-carboxamide
CID 10968855
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
methyl 4-[2-(piperidine-4-carbonylamino)ethyl]benzoate
CID 119277519
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride
CID 119297988
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide (CID 82135396) is N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide is O=C(NCCc1ccc(Br)cc1)C1CCNCC1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is XYPKNMYIPHGXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c15-13-3-1-11(2-4-13)5-10-17-14(18)12-6-8-16-9-7-12/h1-4,12,16H,5-10H2,(H,17,18).
What are the key properties of N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide?
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 82135396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).