(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide

C21H24Cl2N2O — CID 120637228

IUPAC(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C21H24Cl2N2O/c1-14-13-17(11-12-24-14)21(26)25(2)20(15-3-7-18(22)8-4-15)16-5-9-19(23)10-6-16/h3-10,14,17,20,24H,11-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyAQLOLOOXIFAMJV-YOEHRIQHSA-N
MW391.34 g/mol
LogP4.93
Rot. Bonds4

About (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120637228) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120637228
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC Name(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1
InChIInChI=1S/C21H24Cl2N2O/c1-14-13-17(11-12-24-14)21(26)25(2)20(15-3-7-18(22)8-4-15)16-5-9-19(23)10-6-16/h3-10,14,17,20,24H,11-13H2,1-2H3/t14-,17-/m0/s1
InChIKeyAQLOLOOXIFAMJV-YOEHRIQHSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-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 (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide (CID 120637228) is (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)N(C)C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CCN1.
What is the InChIKey of (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is AQLOLOOXIFAMJV-YOEHRIQHSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-14-13-17(11-12-24-14)21(26)25(2)20(15-3-7-18(22)8-4-15)16-5-9-19(23)10-6-16/h3-10,14,17,20,24H,11-13H2,1-2H3/t14-,17-/m0/s1.
What are the key properties of (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 391.34 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[bis(4-chlorophenyl)methyl]-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120637228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).