2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

C21H30BrN3O2 — CID 3230384

IUPAC2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCN(C(=O)CN1CCC(NC(=O)c2ccccc2Br)CC1)C1CCCCC1
InChIInChI=1S/C21H30BrN3O2/c1-24(17-7-3-2-4-8-17)20(26)15-25-13-11-16(12-14-25)23-21(27)18-9-5-6-10-19(18)22/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,23,27)
InChIKeyGZDDMTAOFOAYSO-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.43
Rot. Bonds5

About 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide

2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (PubChem CID 3230384) has the molecular formula C21H30BrN3O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
PubChem CID3230384
Molecular FormulaC21H30BrN3O2
Molecular Weight436.39 g/mol
Exact Mass435.15
IUPAC Name2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
SMILESCN(C(=O)CN1CCC(NC(=O)c2ccccc2Br)CC1)C1CCCCC1
InChIInChI=1S/C21H30BrN3O2/c1-24(17-7-3-2-4-8-17)20(26)15-25-13-11-16(12-14-25)23-21(27)18-9-5-6-10-19(18)22/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,23,27)
InChIKeyGZDDMTAOFOAYSO-UHFFFAOYSA-N
XLogP3.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]-4-methoxybenzamide
CID 43814693
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
2-bromo-N-cycloheptyl-N-methylbenzamide
CID 43409214
4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559685
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46038313
N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]benzamide
CID 63316134
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-piperidin-4-ylbenzamide
CID 119388889
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
2-bromo-N-(1-ethylpiperidin-4-yl)-N-methylbenzamide
CID 54877660

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide (CID 3230384) is 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is CN(C(=O)CN1CCC(NC(=O)c2ccccc2Br)CC1)C1CCCCC1.
What is the InChIKey of 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
The InChIKey is GZDDMTAOFOAYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30BrN3O2/c1-24(17-7-3-2-4-8-17)20(26)15-25-13-11-16(12-14-25)23-21(27)18-9-5-6-10-19(18)22/h5-6,9-10,16-17H,2-4,7-8,11-15H2,1H3,(H,23,27).
What are the key properties of 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide?
2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide has a molecular weight of 436.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 3230384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).