3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide

C19H25ClN2O2 — CID 46463549

IUPAC3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H25ClN2O2/c20-16-8-4-7-15(13-16)18(23)21-17-9-11-22(12-10-17)19(24)14-5-2-1-3-6-14/h4,7-8,13-14,17H,1-3,5-6,9-12H2,(H,21,23)
InChIKeyVNHXLWPYWYDITF-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.64
Rot. Bonds3

About 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide

3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide (PubChem CID 46463549) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
PubChem CID46463549
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H25ClN2O2/c20-16-8-4-7-15(13-16)18(23)21-17-9-11-22(12-10-17)19(24)14-5-2-1-3-6-14/h4,7-8,13-14,17H,1-3,5-6,9-12H2,(H,21,23)
InChIKeyVNHXLWPYWYDITF-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-[1-(cyclohexanecarbonyl)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

3-acetamido-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 108553808
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(cyclopropylsulfamoyl)benzamide
CID 55690965
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
3-chloro-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831791
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
2-chloroethyl 4-[(3-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 108559884

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide (CID 46463549) is 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)C2CCCCC2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
The InChIKey is VNHXLWPYWYDITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-16-8-4-7-15(13-16)18(23)21-17-9-11-22(12-10-17)19(24)14-5-2-1-3-6-14/h4,7-8,13-14,17H,1-3,5-6,9-12H2,(H,21,23).
What are the key properties of 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide?
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide has a molecular weight of 348.87 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46463549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).