1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one

C33H34ClN3O — CID 68987437

IUPAC1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one
SMILESCNC(C(=O)N1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34ClN3O/c1-35-31(30(25-12-5-2-6-13-25)26-14-7-3-8-15-26)33(38)37-22-20-36(21-23-37)32(27-16-9-4-10-17-27)28-18-11-19-29(34)24-28/h2-19,24,30-32,35H,20-23H2,1H3
InChIKeyWAGFTTNWHQUVCP-UHFFFAOYSA-N
MW524.11 g/mol
LogP5.99
Rot. Bonds8

About 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one

1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one (PubChem CID 68987437) has the molecular formula C33H34ClN3O and a molecular weight of 524.11 g/mol. Its IUPAC name is 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one
PubChem CID68987437
Molecular FormulaC33H34ClN3O
Molecular Weight524.11 g/mol
Exact Mass523.24
IUPAC Name1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one
SMILESCNC(C(=O)N1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34ClN3O/c1-35-31(30(25-12-5-2-6-13-25)26-14-7-3-8-15-26)33(38)37-22-20-36(21-23-37)32(27-16-9-4-10-17-27)28-18-11-19-29(34)24-28/h2-19,24,30-32,35H,20-23H2,1H3
InChIKeyWAGFTTNWHQUVCP-UHFFFAOYSA-N
XLogP5.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.11
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 2933143
4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 2956120
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426
1-(4-benzhydrylpiperazin-1-yl)-2-(2-bromo-4-chlorophenoxy)propan-1-one
CID 4981432
(2R)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92770642
1-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705343
1-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]-3-(2,4-dichlorophenyl)urea
CID 42696639
1-(4-benzhydrylpiperazin-1-yl)-2-(4-chloro-2-methylphenoxy)ethanone
CID 4186443
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 8599251
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one?
The IUPAC name of 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one (CID 68987437) is 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one.
What is the SMILES notation for 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one?
The canonical SMILES for 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one is CNC(C(=O)N1CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one?
The InChIKey is WAGFTTNWHQUVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClN3O/c1-35-31(30(25-12-5-2-6-13-25)26-14-7-3-8-15-26)33(38)37-22-20-36(21-23-37)32(27-16-9-4-10-17-27)28-18-11-19-29(34)24-28/h2-19,24,30-32,35H,20-23H2,1H3.
What are the key properties of 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one?
1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one has a molecular weight of 524.11 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(methylamino)-3,3-diphenylpropan-1-one is sourced from PubChem (CID 68987437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).