1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide

C17H25BrN2O — CID 654739

IUPAC1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O/c1-3-20(4-2)17(21)15-9-11-19(12-10-15)13-14-5-7-16(18)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyAZCNEZVCWWGVOU-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.53
Rot. Bonds5

About 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide

1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide (PubChem CID 654739) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
PubChem CID654739
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C17H25BrN2O/c1-3-20(4-2)17(21)15-9-11-19(12-10-15)13-14-5-7-16(18)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3
InChIKeyAZCNEZVCWWGVOU-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-Bromo-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 742528
1-[4-(4-Bromobenzyl)piperazin-1-yl]-3-methylbutan-1-one
CID 773311
1-Benzyl-4-[3-(4-bromophenyl)acryloyl]piperazine
CID 1220338
(+)-1-(1''-(4-Bromobenzyl)-3-phenyl-3,4''-bipiperidin-1-yl)ethanone
CID 24739387
1-[3-[1-[(4-Bromophenyl)methyl]piperidin-4-yl]-3-phenylpiperidin-1-yl]propan-1-one
CID 24739888
(3R,5S)-5-(4-bromophenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565155
4-Benzyl-1-(4-bromobenzoyl)piperidine
CID 984595
1-(4-Bromo-benzyl)-piperidine-4-carboxylic acid diethylamide
CID 654738
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
2-[(4-bromophenyl)methyl-methylamino]-N-(cyclohexylmethyl)propanamide
CID 4883221
N-(2-(1-benzylpiperidin-4-yl)ethyl)-N-methylacetamide
CID 9993507
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-phenylpiperidin-1-yl)propanamide
CID 57397726

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide (CID 654739) is 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is AZCNEZVCWWGVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-20(4-2)17(21)15-9-11-19(12-10-15)13-14-5-7-16(18)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 353.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 654739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).