2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide

C28H29N3O3 — CID 91393791

IUPAC2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C[C@@H](C(=O)c2ccccc2)N(c2ccccc2)[C@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C28H29N3O3/c1-29(2)26(32)20-30-18-24(27(33)21-12-6-3-7-13-21)31(23-16-10-5-11-17-23)25(19-30)28(34)22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3/t24-,25-/m0/s1
InChIKeyQGUFAWVJACJVDO-DQEYMECFSA-N
MW455.56 g/mol
LogP3.40
Rot. Bonds7

About 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide

2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 91393791) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide
PubChem CID91393791
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1C[C@@H](C(=O)c2ccccc2)N(c2ccccc2)[C@H](C(=O)c2ccccc2)C1
InChIInChI=1S/C28H29N3O3/c1-29(2)26(32)20-30-18-24(27(33)21-12-6-3-7-13-21)31(23-16-10-5-11-17-23)25(19-30)28(34)22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3/t24-,25-/m0/s1
InChIKeyQGUFAWVJACJVDO-DQEYMECFSA-N
XLogP3.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide 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 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide (CID 91393791) is 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C[C@@H](C(=O)c2ccccc2)N(c2ccccc2)[C@H](C(=O)c2ccccc2)C1.
What is the InChIKey of 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is QGUFAWVJACJVDO-DQEYMECFSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-29(2)26(32)20-30-18-24(27(33)21-12-6-3-7-13-21)31(23-16-10-5-11-17-23)25(19-30)28(34)22-14-8-4-9-15-22/h3-17,24-25H,18-20H2,1-2H3/t24-,25-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide?
2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 455.56 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dibenzoyl-4-phenylpiperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 91393791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).