N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide

C34H41Cl2N3O3 — CID 67984531

IUPACN-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(Cl)c(OCCOc2ccc(NC3CCNCC3C(=O)N(Cc3cccc(C)c3C)C3CC3)c(C)c2)c(Cl)c1
InChIInChI=1S/C34H41Cl2N3O3/c1-21-16-29(35)33(30(36)17-21)42-15-14-41-27-10-11-31(23(3)18-27)38-32-12-13-37-19-28(32)34(40)39(26-8-9-26)20-25-7-5-6-22(2)24(25)4/h5-7,10-11,16-18,26,28,32,37-38H,8-9,12-15,19-20H2,1-4H3
InChIKeyNYHZGERLICDEMC-UHFFFAOYSA-N
MW610.63 g/mol
LogP7.27
Rot. Bonds11

About N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide

N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 67984531) has the molecular formula C34H41Cl2N3O3 and a molecular weight of 610.63 g/mol. Its IUPAC name is N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
PubChem CID67984531
Molecular FormulaC34H41Cl2N3O3
Molecular Weight610.63 g/mol
Exact Mass609.25
IUPAC NameN-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(Cl)c(OCCOc2ccc(NC3CCNCC3C(=O)N(Cc3cccc(C)c3C)C3CC3)c(C)c2)c(Cl)c1
InChIInChI=1S/C34H41Cl2N3O3/c1-21-16-29(35)33(30(36)17-21)42-15-14-41-27-10-11-31(23(3)18-27)38-32-12-13-37-19-28(32)34(40)39(26-8-9-26)20-25-7-5-6-22(2)24(25)4/h5-7,10-11,16-18,26,28,32,37-38H,8-9,12-15,19-20H2,1-4H3
InChIKeyNYHZGERLICDEMC-UHFFFAOYSA-N
XLogP7.27
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.63
LogP ≤ 57.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide 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-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide (CID 67984531) is N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide is Cc1cc(Cl)c(OCCOc2ccc(NC3CCNCC3C(=O)N(Cc3cccc(C)c3C)C3CC3)c(C)c2)c(Cl)c1.
What is the InChIKey of N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is NYHZGERLICDEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41Cl2N3O3/c1-21-16-29(35)33(30(36)17-21)42-15-14-41-27-10-11-31(23(3)18-27)38-32-12-13-37-19-28(32)34(40)39(26-8-9-26)20-25-7-5-6-22(2)24(25)4/h5-7,10-11,16-18,26,28,32,37-38H,8-9,12-15,19-20H2,1-4H3.
What are the key properties of N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 610.63 g/mol, XLogP of 7.27, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]-2-methylanilino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 67984531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).