N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C16H24BrClN2O — CID 119705936

IUPACN-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-5-6-14(17)9-15(11)19-16(20)8-12(2)13-4-3-7-18-10-13;/h5-6,9,12-13,18H,3-4,7-8,10H2,1-2H3,(H,19,20);1H
InChIKeyDIAUWHQIESDTIH-UHFFFAOYSA-N
MW375.74 g/mol
LogP4.14
Rot. Bonds4

About N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119705936) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119705936
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(Br)cc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-5-6-14(17)9-15(11)19-16(20)8-12(2)13-4-3-7-18-10-13;/h5-6,9,12-13,18H,3-4,7-8,10H2,1-2H3,(H,19,20);1H
InChIKeyDIAUWHQIESDTIH-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119714059
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119815843
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119311546
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119705936) is N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(Br)cc1NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is DIAUWHQIESDTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-11-5-6-14(17)9-15(11)19-16(20)8-12(2)13-4-3-7-18-10-13;/h5-6,9,12-13,18H,3-4,7-8,10H2,1-2H3,(H,19,20);1H.
What are the key properties of N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119705936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).