4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide

C22H24Cl2N2O — CID 68935262

IUPAC4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCNC[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2O/c1-26(22(27)16-6-4-15(5-7-16)14-2-3-14)21-10-11-25-13-18(21)17-8-9-19(23)20(24)12-17/h4-9,12,14,18,21,25H,2-3,10-11,13H2,1H3/t18-,21+/m0/s1
InChIKeyARYIPYIBHKQHFA-GHTZIAJQSA-N
MW403.35 g/mol
LogP5.09
Rot. Bonds4

About 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide

4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide (PubChem CID 68935262) has the molecular formula C22H24Cl2N2O and a molecular weight of 403.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
PubChem CID68935262
Molecular FormulaC22H24Cl2N2O
Molecular Weight403.35 g/mol
Exact Mass402.13
IUPAC Name4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCNC[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2O/c1-26(22(27)16-6-4-15(5-7-16)14-2-3-14)21-10-11-25-13-18(21)17-8-9-19(23)20(24)12-17/h4-9,12,14,18,21,25H,2-3,10-11,13H2,1H3/t18-,21+/m0/s1
InChIKeyARYIPYIBHKQHFA-GHTZIAJQSA-N
XLogP5.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide 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-[3-(3,4-dichlorophenyl)piperidin-4-yl]-4-methoxy-N-methylbenzamide
CID 68934060
N-[(3R,4S)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631302
4-chloro-N-[(3S,4R)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methylbenzamide;hydrochloride
CID 68933912
4-chloro-N-[3-(4-chloro-3-fluorophenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68870525
N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methyl-4-(3-methylpyrazol-1-yl)benzamide
CID 68935911
N-[4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 87629571
N-[3-(4-fluorophenyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide
CID 87629375
N-methyl-N-[(3R,4R)-3-(4-methylphenyl)piperidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 86631370
4-chloro-N-[(3R,4R)-3-(4-fluoro-2-methylphenyl)piperidin-4-yl]-N-methylbenzamide;hydrochloride
CID 68930315
N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-(piperidine-4-carbonyl)piperidin-4-yl]-N-methyl-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 86631339
N-[(4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]-2-(4-fluorophenyl)-N-methylacetamide
CID 143913097
4-chloro-N-[(3R,4R)-3-(3,4-dichlorophenyl)-1-prop-2-enoylpiperidin-4-yl]-N-methylbenzamide
CID 68935139

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide?
The IUPAC name of 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide (CID 68935262) is 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide?
The canonical SMILES for 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide is CN(C(=O)c1ccc(C2CC2)cc1)[C@@H]1CCNC[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide?
The InChIKey is ARYIPYIBHKQHFA-GHTZIAJQSA-N. The full InChI is InChI=1S/C22H24Cl2N2O/c1-26(22(27)16-6-4-15(5-7-16)14-2-3-14)21-10-11-25-13-18(21)17-8-9-19(23)20(24)12-17/h4-9,12,14,18,21,25H,2-3,10-11,13H2,1H3/t18-,21+/m0/s1.
What are the key properties of 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide?
4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide has a molecular weight of 403.35 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[(3R,4R)-3-(3,4-dichlorophenyl)piperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 68935262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).