2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide

C26H32ClN3O2 — CID 46038313

IUPAC2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C26H32ClN3O2/c1-29(20-9-3-2-4-10-20)26(32)22-12-6-8-14-24(22)30-17-15-19(16-18-30)28-25(31)21-11-5-7-13-23(21)27/h5-8,11-14,19-20H,2-4,9-10,15-18H2,1H3,(H,28,31)
InChIKeyOCHSPCVBTPTNTO-UHFFFAOYSA-N
MW454.01 g/mol
LogP5.14
Rot. Bonds5

About 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide

2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide (PubChem CID 46038313) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
PubChem CID46038313
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1)C1CCCCC1
InChIInChI=1S/C26H32ClN3O2/c1-29(20-9-3-2-4-10-20)26(32)22-12-6-8-14-24(22)30-17-15-19(16-18-30)28-25(31)21-11-5-7-13-23(21)27/h5-8,11-14,19-20H,2-4,9-10,15-18H2,1H3,(H,28,31)
InChIKeyOCHSPCVBTPTNTO-UHFFFAOYSA-N
XLogP5.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.01
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[cyclohexyl(methyl)carbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46038316
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
CID 24719023
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038655
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281
2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46156224
2-chloro-N-[1-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]piperidin-4-yl]benzamide
CID 93291101
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 93324123
2-chloro-N-cyclopentylbenzamide
CID 669043
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
CID 42848309
2-methyl-N-[1-[2-(piperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038031
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide (CID 46038313) is 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2Cl)CC1)C1CCCCC1.
What is the InChIKey of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
The InChIKey is OCHSPCVBTPTNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-29(20-9-3-2-4-10-20)26(32)22-12-6-8-14-24(22)30-17-15-19(16-18-30)28-25(31)21-11-5-7-13-23(21)27/h5-8,11-14,19-20H,2-4,9-10,15-18H2,1H3,(H,28,31).
What are the key properties of 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide?
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide has a molecular weight of 454.01 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 46038313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).