2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide

C33H36N4O2 — CID 11763062

IUPAC2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CCCC2)cc1
InChIInChI=1S/C33H36N4O2/c34-25-26-13-15-29(16-14-26)35-30(38)23-33(17-7-8-18-33)24-31(39)36-19-21-37(22-20-36)32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-6,9-16,32H,7-8,17-24H2,(H,35,38)
InChIKeyHYFZTISWNDPYJI-UHFFFAOYSA-N
MW520.68 g/mol
LogP5.77
Rot. Bonds8

About 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide

2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide (PubChem CID 11763062) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide
PubChem CID11763062
Molecular FormulaC33H36N4O2
Molecular Weight520.68 g/mol
Exact Mass520.28
IUPAC Name2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CC2(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CCCC2)cc1
InChIInChI=1S/C33H36N4O2/c34-25-26-13-15-29(16-14-26)35-30(38)23-33(17-7-8-18-33)24-31(39)36-19-21-37(22-20-36)32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-6,9-16,32H,7-8,17-24H2,(H,35,38)
InChIKeyHYFZTISWNDPYJI-UHFFFAOYSA-N
XLogP5.77
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide?
The IUPAC name of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide (CID 11763062) is 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide?
The canonical SMILES for 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CC2(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)CCCC2)cc1.
What is the InChIKey of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide?
The InChIKey is HYFZTISWNDPYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O2/c34-25-26-13-15-29(16-14-26)35-30(38)23-33(17-7-8-18-33)24-31(39)36-19-21-37(22-20-36)32(27-9-3-1-4-10-27)28-11-5-2-6-12-28/h1-6,9-16,32H,7-8,17-24H2,(H,35,38).
What are the key properties of 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide?
2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide has a molecular weight of 520.68 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]cyclopentyl]-N-(4-cyanophenyl)acetamide is sourced from PubChem (CID 11763062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).