1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide

C25H31BrN2O2 — CID 55763251

IUPAC1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H31BrN2O2/c1-3-18(4-2)23(19-8-6-5-7-9-19)27-24(29)20-14-16-28(17-15-20)25(30)21-10-12-22(26)13-11-21/h5-13,18,20,23H,3-4,14-17H2,1-2H3,(H,27,29)
InChIKeyHBKZTTQONBHECS-UHFFFAOYSA-N
MW471.44 g/mol
LogP5.59
Rot. Bonds7

About 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide (PubChem CID 55763251) has the molecular formula C25H31BrN2O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide
PubChem CID55763251
Molecular FormulaC25H31BrN2O2
Molecular Weight471.44 g/mol
Exact Mass470.16
IUPAC Name1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide
SMILESCCC(CC)C(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H31BrN2O2/c1-3-18(4-2)23(19-8-6-5-7-9-19)27-24(29)20-14-16-28(17-15-20)25(30)21-10-12-22(26)13-11-21/h5-13,18,20,23H,3-4,14-17H2,1-2H3,(H,27,29)
InChIKeyHBKZTTQONBHECS-UHFFFAOYSA-N
XLogP5.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.44
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-N-pentan-3-ylpiperidine-4-carboxamide
CID 17018973
1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
CID 25387932
1-(4-methylbenzoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004083
1-(4-bromobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46468435
1-benzoyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 41024910
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
(2S)-2-[(1-benzoylpiperidine-4-carbonyl)amino]propanoic acid
CID 119238348
1-(4-bromobenzoyl)-N',N'-dimethylpiperidine-4-carbohydrazide
CID 9180450
3-amino-N-(2-ethyl-1-phenylbutyl)cyclopentane-1-carboxamide
CID 66007495
N-[1-(1-adamantyl)ethyl]-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 46560202

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide (CID 55763251) is 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide is CCC(CC)C(NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is HBKZTTQONBHECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31BrN2O2/c1-3-18(4-2)23(19-8-6-5-7-9-19)27-24(29)20-14-16-28(17-15-20)25(30)21-10-12-22(26)13-11-21/h5-13,18,20,23H,3-4,14-17H2,1-2H3,(H,27,29).
What are the key properties of 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(2-ethyl-1-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 55763251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).