N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C16H24BrClN2O — CID 119704625

IUPACN-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCCNC2)cc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-5-6-14(9-15(11)17)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
InChIKeyCVLCPXXFCFOETL-UHFFFAOYSA-N
MW375.74 g/mol
LogP4.14
Rot. Bonds4

About N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119704625) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119704625
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCCNC2)cc1Br.Cl
InChIInChI=1S/C16H23BrN2O.ClH/c1-11-5-6-14(9-15(11)17)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
InChIKeyCVLCPXXFCFOETL-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-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-[3-(methanesulfonamido)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119711254
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119798751
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
N,4-dimethyl-3-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119714058
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119704625) is N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is Cc1ccc(NC(=O)CC(C)C2CCCNC2)cc1Br.Cl.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is CVLCPXXFCFOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c1-11-5-6-14(9-15(11)17)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-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(3-bromo-4-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-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119704625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).