2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide

C25H26ClN3O — CID 143117973

IUPAC2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26ClN3O/c26-22-13-11-21(12-14-22)19-27-15-17-28(18-16-27)20-25(30)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14H,15-20H2
InChIKeyBBMRDTNEMXYWAW-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.82
Rot. Bonds6

About 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide

2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide (PubChem CID 143117973) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
PubChem CID143117973
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC Name2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide
SMILESO=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26ClN3O/c26-22-13-11-21(12-14-22)19-27-15-17-28(18-16-27)20-25(30)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14H,15-20H2
InChIKeyBBMRDTNEMXYWAW-UHFFFAOYSA-N
XLogP4.82
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylacetamide
CID 44768291
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 4120374
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 9129867
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
1-(4-benzylpiperazin-1-yl)propan-2-one
CID 60649722
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
3-[4-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-phenylpropanoic acid
CID 14097038
5-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]pentanoyl cyanide
CID 143622513
1-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 22629627
1-(4-benzylpiperazin-1-yl)butan-2-one
CID 22120198
2-[[1-amino-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethylidene]amino]benzamide
CID 167097172
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 8693460

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide (CID 143117973) is 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide is O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide?
The InChIKey is BBMRDTNEMXYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O/c26-22-13-11-21(12-14-22)19-27-15-17-28(18-16-27)20-25(30)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14H,15-20H2.
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide?
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide has a molecular weight of 419.96 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N,N-diphenylacetamide is sourced from PubChem (CID 143117973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).