4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide

C27H34Cl3N3O2 — CID 44550460

IUPAC4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide
SMILESCC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3
InChIKeyOZJDKUMSRQSURZ-UHFFFAOYSA-N
MW538.95 g/mol
LogP5.90
Rot. Bonds8

About 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide

4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide (PubChem CID 44550460) has the molecular formula C27H34Cl3N3O2 and a molecular weight of 538.95 g/mol. Its IUPAC name is 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide
PubChem CID44550460
Molecular FormulaC27H34Cl3N3O2
Molecular Weight538.95 g/mol
Exact Mass537.17
IUPAC Name4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide
SMILESCC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3
InChIKeyOZJDKUMSRQSURZ-UHFFFAOYSA-N
XLogP5.90
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.95
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide 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 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide?
The IUPAC name of 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide (CID 44550460) is 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide.
What is the SMILES notation for 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide?
The canonical SMILES for 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide is CC(=O)N(C)C1CCN(CCC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide?
The InChIKey is OZJDKUMSRQSURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34Cl3N3O2/c1-19(34)32(4)22-11-14-33(15-12-22)16-13-27(2,21-9-10-24(29)25(30)17-21)26(35)31(3)18-20-7-5-6-8-23(20)28/h5-10,17,22H,11-16,18H2,1-4H3.
What are the key properties of 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide?
4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide has a molecular weight of 538.95 g/mol, XLogP of 5.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-N-[(2-chlorophenyl)methyl]-2-(3,4-dichlorophenyl)-N,2-dimethylbutanamide is sourced from PubChem (CID 44550460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).