N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C15H22BrClN2O — CID 119670352

IUPACN-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Br)cc1)C1CCCNC1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(12-3-2-8-17-10-12)9-15(19)18-14-6-4-13(16)5-7-14;/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,18,19);1H
InChIKeyOJYOANSFFFWTII-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.84
Rot. Bonds4

About N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119670352) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119670352
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC NameN-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccc(Br)cc1)C1CCCNC1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-11(12-3-2-8-17-10-12)9-15(19)18-14-6-4-13(16)5-7-14;/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,18,19);1H
InChIKeyOJYOANSFFFWTII-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
CID 119739180
N-[4-(1-morpholin-4-ylethyl)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119878401
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119670352) is N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccc(Br)cc1)C1CCCNC1.Cl.
What is the InChIKey of N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is OJYOANSFFFWTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-11(12-3-2-8-17-10-12)9-15(19)18-14-6-4-13(16)5-7-14;/h4-7,11-12,17H,2-3,8-10H2,1H3,(H,18,19);1H.
What are the key properties of N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119670352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).