N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

C32H38N4O2 — CID 70101068

IUPACN-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C32H38N4O2/c1-33-25-28(24-30(33)37)32(38)36(29-16-9-4-10-17-29)19-11-18-34-20-22-35(23-21-34)31(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,28,31H,11,18-25H2,1H3
InChIKeyZVRRGSPTORSCJD-UHFFFAOYSA-N
MW510.68 g/mol
LogP4.30
Rot. Bonds9

About N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide

N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 70101068) has the molecular formula C32H38N4O2 and a molecular weight of 510.68 g/mol. Its IUPAC name is N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID70101068
Molecular FormulaC32H38N4O2
Molecular Weight510.68 g/mol
Exact Mass510.30
IUPAC NameN-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)N(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)CC1=O
InChIInChI=1S/C32H38N4O2/c1-33-25-28(24-30(33)37)32(38)36(29-16-9-4-10-17-29)19-11-18-34-20-22-35(23-21-34)31(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,28,31H,11,18-25H2,1H3
InChIKeyZVRRGSPTORSCJD-UHFFFAOYSA-N
XLogP4.30
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.68
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 70101068) is N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is CN1CC(C(=O)N(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)CC1=O.
What is the InChIKey of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is ZVRRGSPTORSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O2/c1-33-25-28(24-30(33)37)32(38)36(29-16-9-4-10-17-29)19-11-18-34-20-22-35(23-21-34)31(26-12-5-2-6-13-26)27-14-7-3-8-15-27/h2-10,12-17,28,31H,11,18-25H2,1H3.
What are the key properties of N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide?
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 510.68 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-1-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 70101068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).