1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

C20H22BrN3O2 — CID 29352994

IUPAC1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22BrN3O2/c21-17-6-4-16(5-7-17)20(26)24-13-9-15(10-14-24)19(25)23-12-8-18-3-1-2-11-22-18/h1-7,11,15H,8-10,12-14H2,(H,23,25)
InChIKeyYZPVVZHRCMXEFZ-UHFFFAOYSA-N
MW416.32 g/mol
LogP3.06
Rot. Bonds5

About 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide

1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide (PubChem CID 29352994) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
PubChem CID29352994
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C20H22BrN3O2/c21-17-6-4-16(5-7-17)20(26)24-13-9-15(10-14-24)19(25)23-12-8-18-3-1-2-11-22-18/h1-7,11,15H,8-10,12-14H2,(H,23,25)
InChIKeyYZPVVZHRCMXEFZ-UHFFFAOYSA-N
XLogP3.06
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
1-(4-bromobenzoyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
CID 20974814
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
1-(3-methylbenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004430
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
1-(4-bromobenzoyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 24504712

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide (CID 29352994) is 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide is O=C(NCCc1ccccn1)C1CCN(C(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is YZPVVZHRCMXEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c21-17-6-4-16(5-7-17)20(26)24-13-9-15(10-14-24)19(25)23-12-8-18-3-1-2-11-22-18/h1-7,11,15H,8-10,12-14H2,(H,23,25).
What are the key properties of 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide?
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 29352994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).