N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride

C15H21BrClN3O2 — CID 119297988

IUPACN-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCNCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2.ClH/c16-12-1-3-13(4-2-12)19-14(20)7-10-18-15(21)11-5-8-17-9-6-11;/h1-4,11,17H,5-10H2,(H,18,21)(H,19,20);1H
InChIKeyHAHQYFKCJVGXET-UHFFFAOYSA-N
MW390.71 g/mol
LogP2.32
Rot. Bonds5

About N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride

N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119297988) has the molecular formula C15H21BrClN3O2 and a molecular weight of 390.71 g/mol. Its IUPAC name is N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119297988
Molecular FormulaC15H21BrClN3O2
Molecular Weight390.71 g/mol
Exact Mass389.05
IUPAC NameN-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(CCNC(=O)C1CCNCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C15H20BrN3O2.ClH/c16-12-1-3-13(4-2-12)19-14(20)7-10-18-15(21)11-5-8-17-9-6-11;/h1-4,11,17H,5-10H2,(H,18,21)(H,19,20);1H
InChIKeyHAHQYFKCJVGXET-UHFFFAOYSA-N
XLogP2.32
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.71
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-2-carboxamide
CID 119297979
N-[2-(4-bromophenyl)ethyl]piperidine-4-carboxamide
CID 82135396
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
N-[3-(4-bromoanilino)-3-oxopropyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 55979213
N-(4-bromophenyl)-3-piperidin-4-yloxypropanamide
CID 63877337
N-[3-(4-bromoanilino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119739146
N-(4-bromophenyl)-3-(cyclopropylamino)propanamide
CID 60723258
4-N-(4-bromophenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144381
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55951069
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
(2S,4S)-N-[3-(5-bromo-2-methylanilino)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629529

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride (CID 119297988) is N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(CCNC(=O)C1CCNCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is HAHQYFKCJVGXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.ClH/c16-12-1-3-13(4-2-12)19-14(20)7-10-18-15(21)11-5-8-17-9-6-11;/h1-4,11,17H,5-10H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride?
N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 390.71 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromoanilino)-3-oxopropyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119297988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).