methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate

C31H34N2O4 — CID 16725625

IUPACmethyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCN1CC(C(=O)c2ccccc2)C(c2cccc(C)c2C)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C31H34N2O4/c1-21-11-10-16-25(22(21)2)28-26(29(34)23-12-6-4-7-13-23)19-33(18-17-32-31(36)37-3)20-27(28)30(35)24-14-8-5-9-15-24/h4-16,26-28H,17-20H2,1-3H3,(H,32,36)
InChIKeyWLCCHQBNSYIADN-UHFFFAOYSA-N
MW498.62 g/mol
LogP5.06
Rot. Bonds8

About methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate

methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate (PubChem CID 16725625) has the molecular formula C31H34N2O4 and a molecular weight of 498.62 g/mol. Its IUPAC name is methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate
PubChem CID16725625
Molecular FormulaC31H34N2O4
Molecular Weight498.62 g/mol
Exact Mass498.25
IUPAC Namemethyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCN1CC(C(=O)c2ccccc2)C(c2cccc(C)c2C)C(C(=O)c2ccccc2)C1
InChIInChI=1S/C31H34N2O4/c1-21-11-10-16-25(22(21)2)28-26(29(34)23-12-6-4-7-13-23)19-33(18-17-32-31(36)37-3)20-27(28)30(35)24-14-8-5-9-15-24/h4-16,26-28H,17-20H2,1-3H3,(H,32,36)
InChIKeyWLCCHQBNSYIADN-UHFFFAOYSA-N
XLogP5.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate 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 methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate (CID 16725625) is methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate is COC(=O)NCCN1CC(C(=O)c2ccccc2)C(c2cccc(C)c2C)C(C(=O)c2ccccc2)C1.
What is the InChIKey of methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate?
The InChIKey is WLCCHQBNSYIADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O4/c1-21-11-10-16-25(22(21)2)28-26(29(34)23-12-6-4-7-13-23)19-33(18-17-32-31(36)37-3)20-27(28)30(35)24-14-8-5-9-15-24/h4-16,26-28H,17-20H2,1-3H3,(H,32,36).
What are the key properties of methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate?
methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate has a molecular weight of 498.62 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3,5-dibenzoyl-4-(2,3-dimethylphenyl)piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 16725625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).