1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide

C20H17BrClN3O2 — CID 55480232

IUPAC1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H17BrClN3O2/c21-16-3-1-14(2-4-16)20(27)25-9-7-13(8-10-25)19(26)24-17-5-6-18(22)15(11-17)12-23/h1-6,11,13H,7-10H2,(H,24,26)
InChIKeyBTKANQJPMJSMAL-UHFFFAOYSA-N
MW446.73 g/mol
LogP4.47
Rot. Bonds3

About 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide (PubChem CID 55480232) has the molecular formula C20H17BrClN3O2 and a molecular weight of 446.73 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide
PubChem CID55480232
Molecular FormulaC20H17BrClN3O2
Molecular Weight446.73 g/mol
Exact Mass445.02
IUPAC Name1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide
SMILESN#Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1Cl
InChIInChI=1S/C20H17BrClN3O2/c21-16-3-1-14(2-4-16)20(27)25-9-7-13(8-10-25)19(26)24-17-5-6-18(22)15(11-17)12-23/h1-6,11,13H,7-10H2,(H,24,26)
InChIKeyBTKANQJPMJSMAL-UHFFFAOYSA-N
XLogP4.47
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.73
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-(3-chloro-4-methoxyphenyl)piperidine-4-carboxamide
CID 2192257
N-(4-acetamidophenyl)-1-(4-bromobenzoyl)piperidine-4-carboxamide
CID 35049074
1-(4-bromobenzoyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)piperidine-4-carboxamide
CID 26701574
methyl N-[4-[[1-(4-bromobenzoyl)piperidine-4-carbonyl]amino]phenyl]carbamate
CID 55804770
1-(4-tert-butylbenzoyl)-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 1003994
N-(4-bromophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
CID 2294764
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
1-(3,4-dichlorobenzoyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 113008225
1-(4-bromobenzoyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 46475174
N-(4-bromophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 39355313
1-(4-bromobenzoyl)-N-[3-chloro-2-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 55762993

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide (CID 55480232) is 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide is N#Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)ccc1Cl.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide?
The InChIKey is BTKANQJPMJSMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrClN3O2/c21-16-3-1-14(2-4-16)20(27)25-9-7-13(8-10-25)19(26)24-17-5-6-18(22)15(11-17)12-23/h1-6,11,13H,7-10H2,(H,24,26).
What are the key properties of 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide has a molecular weight of 446.73 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 55480232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).