N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride

C17H23BrClN3O2 — CID 119763563

IUPACN-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C17H22BrN3O2.ClH/c18-14-1-3-15(4-2-14)20-16(22)12-6-9-21(10-7-12)17(23)13-5-8-19-11-13;/h1-4,12-13,19H,5-11H2,(H,20,22);1H
InChIKeyLTASTRFRSIAZFM-UHFFFAOYSA-N
MW416.75 g/mol
LogP2.66
Rot. Bonds3

About N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride

N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119763563) has the molecular formula C17H23BrClN3O2 and a molecular weight of 416.75 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119763563
Molecular FormulaC17H23BrClN3O2
Molecular Weight416.75 g/mol
Exact Mass415.07
IUPAC NameN-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C17H22BrN3O2.ClH/c18-14-1-3-15(4-2-14)20-16(22)12-6-9-21(10-7-12)17(23)13-5-8-19-11-13;/h1-4,12-13,19H,5-11H2,(H,20,22);1H
InChIKeyLTASTRFRSIAZFM-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.75
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007421
N-(2-bromophenyl)-1-(piperidine-4-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119314729
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
N-(3-bromo-4-methylphenyl)-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 113007435
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-bromophenyl)-1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 40964099
N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
CID 2294764
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride (CID 119763563) is N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is LTASTRFRSIAZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O2.ClH/c18-14-1-3-15(4-2-14)20-16(22)12-6-9-21(10-7-12)17(23)13-5-8-19-11-13;/h1-4,12-13,19H,5-11H2,(H,20,22);1H.
What are the key properties of N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 416.75 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119763563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).