2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide

C26H33N3O2 — CID 24719023

IUPAC2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C26H33N3O2/c1-28(22-12-6-3-7-13-22)26(31)23-14-8-9-15-24(23)29-18-16-21(17-19-29)27-25(30)20-10-4-2-5-11-20/h2,4-5,8-11,14-15,21-22H,3,6-7,12-13,16-19H2,1H3,(H,27,30)
InChIKeySTHBLZBQJSIUFW-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.49
Rot. Bonds5

About 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide

2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide (PubChem CID 24719023) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide.

Molecular Properties

Compound Name2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
PubChem CID24719023
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide
SMILESCN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C26H33N3O2/c1-28(22-12-6-3-7-13-22)26(31)23-14-8-9-15-24(23)29-18-16-21(17-19-29)27-25(30)20-10-4-2-5-11-20/h2,4-5,8-11,14-15,21-22H,3,6-7,12-13,16-19H2,1H3,(H,27,30)
InChIKeySTHBLZBQJSIUFW-UHFFFAOYSA-N
XLogP4.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-bromobenzoyl)amino]piperidin-1-yl]-N-cyclohexyl-N-methylbenzamide
CID 46156224
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
N-cyclohexyl-N-methyl-2-[4-(propan-2-ylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038655
N-methyl-N-(1-methylpiperidin-4-yl)-2-[4-[(2-phenoxyacetyl)amino]piperidin-1-yl]benzamide
CID 42848309
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
2-(4-benzamidopiperidin-1-yl)-N-[(1R)-1-phenylethyl]benzamide
CID 93290973
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136
N-benzyl-2-[4-[(4-chlorobenzoyl)amino]piperidin-1-yl]-N-ethylbenzamide
CID 46038514
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-ethyl-N-methylbenzamide
CID 46038281

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide?
The IUPAC name of 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide (CID 24719023) is 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide.
What is the SMILES notation for 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide?
The canonical SMILES for 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide is CN(C(=O)c1ccccc1N1CCC(NC(=O)c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide?
The InChIKey is STHBLZBQJSIUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-28(22-12-6-3-7-13-22)26(31)23-14-8-9-15-24(23)29-18-16-21(17-19-29)27-25(30)20-10-4-2-5-11-20/h2,4-5,8-11,14-15,21-22H,3,6-7,12-13,16-19H2,1H3,(H,27,30).
What are the key properties of 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide?
2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide has a molecular weight of 419.57 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzamidopiperidin-1-yl)-N-cyclohexyl-N-methylbenzamide is sourced from PubChem (CID 24719023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).