N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

C25H30Cl3N3O2 — CID 71586293

IUPACN-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(CN(C(=O)C2CNCCC2NC(=O)c2cc(Cl)cc(Cl)c2)C2CC2)c1C.Cl
InChIInChI=1S/C25H29Cl2N3O2.ClH/c1-15-4-3-5-17(16(15)2)14-30(21-6-7-21)25(32)22-13-28-9-8-23(22)29-24(31)18-10-19(26)12-20(27)11-18;/h3-5,10-12,21-23,28H,6-9,13-14H2,1-2H3,(H,29,31);1H
InChIKeyPMYAYZHMQJNHOO-UHFFFAOYSA-N
MW510.89 g/mol
LogP4.93
Rot. Bonds6

About N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 71586293) has the molecular formula C25H30Cl3N3O2 and a molecular weight of 510.89 g/mol. Its IUPAC name is N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID71586293
Molecular FormulaC25H30Cl3N3O2
Molecular Weight510.89 g/mol
Exact Mass509.14
IUPAC NameN-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1cccc(CN(C(=O)C2CNCCC2NC(=O)c2cc(Cl)cc(Cl)c2)C2CC2)c1C.Cl
InChIInChI=1S/C25H29Cl2N3O2.ClH/c1-15-4-3-5-17(16(15)2)14-30(21-6-7-21)25(32)22-13-28-9-8-23(22)29-24(31)18-10-19(26)12-20(27)11-18;/h3-5,10-12,21-23,28H,6-9,13-14H2,1-2H3,(H,29,31);1H
InChIKeyPMYAYZHMQJNHOO-UHFFFAOYSA-N
XLogP4.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.89
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 71586293) is N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is Cc1cccc(CN(C(=O)C2CNCCC2NC(=O)c2cc(Cl)cc(Cl)c2)C2CC2)c1C.Cl.
What is the InChIKey of N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is PMYAYZHMQJNHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O2.ClH/c1-15-4-3-5-17(16(15)2)14-30(21-6-7-21)25(32)22-13-28-9-8-23(22)29-24(31)18-10-19(26)12-20(27)11-18;/h3-5,10-12,21-23,28H,6-9,13-14H2,1-2H3,(H,29,31);1H.
What are the key properties of N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 510.89 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 71586293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).