1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

C23H25ClFN3O2 — CID 50789318

IUPAC1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C23H25ClFN3O2/c24-19-3-1-2-18(14-19)15-22(29)26-10-8-21(9-11-26)28-13-12-27(23(28)30)16-17-4-6-20(25)7-5-17/h1-7,14,21H,8-13,15-16H2
InChIKeyBBWIDRKXWUZWGU-UHFFFAOYSA-N
MW429.92 g/mol
LogP3.95
Rot. Bonds5

About 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 50789318) has the molecular formula C23H25ClFN3O2 and a molecular weight of 429.92 g/mol. Its IUPAC name is 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID50789318
Molecular FormulaC23H25ClFN3O2
Molecular Weight429.92 g/mol
Exact Mass429.16
IUPAC Name1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C(Cc1cccc(Cl)c1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C23H25ClFN3O2/c24-19-3-1-2-18(14-19)15-22(29)26-10-8-21(9-11-26)28-13-12-27(23(28)30)16-17-4-6-20(25)7-5-17/h1-7,14,21H,8-13,15-16H2
InChIKeyBBWIDRKXWUZWGU-UHFFFAOYSA-N
XLogP3.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.92
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-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

(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
1-(3-Chlorobenzoyl)-4-(2-fluorobenzoyl)piperazine
CID 660542
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846
1-(3-Chlorobenzoyl)-4-(2-fluorobenzyl)piperazine
CID 717254
1-(2-Chloro-4-fluorobenzyl)-4-(3-phenylpropanoyl)piperazine
CID 2970236
4-[2-(4-Chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 5052501
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(3-chloro-4-fluorophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-N-methylacetamide
CID 10100236
N-(1-Benzyl-piperidin-4-yl)-2-(3-chloro-phenyl)-acetamide
CID 10712370
N-[1-(4-chlorobenzyl)piperidin-3-yl]-2-(2-fluorophenyl)acetamide
CID 23723289
2-(4-chlorophenyl)-N-[1-(2-fluorobenzyl)-3-piperidinyl]acetamide
CID 23723522
N-[1-(4-chlorobenzyl)-3-piperidinyl]-2-(2,3-difluorophenyl)acetamide
CID 23723802

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (CID 50789318) is 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is O=C(Cc1cccc(Cl)c1)N1CCC(N2CCN(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is BBWIDRKXWUZWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClFN3O2/c24-19-3-1-2-18(14-19)15-22(29)26-10-8-21(9-11-26)28-13-12-27(23(28)30)16-17-4-6-20(25)7-5-17/h1-7,14,21H,8-13,15-16H2.
What are the key properties of 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 429.92 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 50789318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).