N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide

C29H32N4O3 — CID 2915051

IUPACN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32N4O3/c1-22-12-14-25(15-13-22)31-28(35)27(34)30-16-17-32-18-20-33(21-19-32)29(36)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,26H,16-21H2,1H3,(H,30,34)(H,31,35)
InChIKeyFSPNCQRQSHZPGO-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.03
Rot. Bonds7

About N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide

N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide (PubChem CID 2915051) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide
PubChem CID2915051
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C29H32N4O3/c1-22-12-14-25(15-13-22)31-28(35)27(34)30-16-17-32-18-20-33(21-19-32)29(36)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,26H,16-21H2,1H3,(H,30,34)(H,31,35)
InChIKeyFSPNCQRQSHZPGO-UHFFFAOYSA-N
XLogP3.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide (CID 2915051) is N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide?
The InChIKey is FSPNCQRQSHZPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-22-12-14-25(15-13-22)31-28(35)27(34)30-16-17-32-18-20-33(21-19-32)29(36)26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-15,26H,16-21H2,1H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide?
N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide has a molecular weight of 484.60 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2-diphenylacetyl)piperazin-1-yl]ethyl]-N'-(4-methylphenyl)oxamide is sourced from PubChem (CID 2915051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).