N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C17H26BrClN2O — CID 119716419

IUPACN-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccc(Br)c1.Cl
InChIInChI=1S/C17H25BrN2O.ClH/c1-12(15-6-4-8-19-11-15)9-17(21)20-13(2)14-5-3-7-16(18)10-14;/h3,5,7,10,12-13,15,19H,4,6,8-9,11H2,1-2H3,(H,20,21);1H
InChIKeyFLPBLQCREOEXTR-UHFFFAOYSA-N
MW389.77 g/mol
LogP4.07
Rot. Bonds5

About N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119716419) has the molecular formula C17H26BrClN2O and a molecular weight of 389.77 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119716419
Molecular FormulaC17H26BrClN2O
Molecular Weight389.77 g/mol
Exact Mass388.09
IUPAC NameN-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(NC(=O)CC(C)C1CCCNC1)c1cccc(Br)c1.Cl
InChIInChI=1S/C17H25BrN2O.ClH/c1-12(15-6-4-8-19-11-15)9-17(21)20-13(2)14-5-3-7-16(18)10-14;/h3,5,7,10,12-13,15,19H,4,6,8-9,11H2,1-2H3,(H,20,21);1H
InChIKeyFLPBLQCREOEXTR-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
CID 119740642
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 119788718
N-[1-(3-bromophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119285498
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
CID 81375901
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119716419) is N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(NC(=O)CC(C)C1CCCNC1)c1cccc(Br)c1.Cl.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is FLPBLQCREOEXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O.ClH/c1-12(15-6-4-8-19-11-15)9-17(21)20-13(2)14-5-3-7-16(18)10-14;/h3,5,7,10,12-13,15,19H,4,6,8-9,11H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119716419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).