4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide

C19H19ClFN3O2 — CID 154838277

IUPAC4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C19H19ClFN3O2/c1-13-2-7-16(21)10-17(13)22-19(26)24-9-8-23(18(25)12-24)11-14-3-5-15(20)6-4-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,26)
InChIKeyWNNGNWBXQVIOKQ-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.66
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide (PubChem CID 154838277) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide
PubChem CID154838277
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(F)cc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
InChIInChI=1S/C19H19ClFN3O2/c1-13-2-7-16(21)10-17(13)22-19(26)24-9-8-23(18(25)12-24)11-14-3-5-15(20)6-4-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,26)
InChIKeyWNNGNWBXQVIOKQ-UHFFFAOYSA-N
XLogP3.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-fluorophenyl)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-oxopiperazine-1-carboxamide
CID 47000283
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
4-(3,5-dichloro-4-pyridinyl)-N-(5-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 23856810
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
CID 56892475
4-(3-benzyl-2-oxoimidazolidin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53098591
N-(3-chloro-4-methylphenyl)-4-[(4-chlorophenyl)methyl]piperazine-1-carboxamide
CID 113107888
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53030710
4-(5-fluoropyridine-3-carbonyl)-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 91837307
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide (CID 154838277) is 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide is Cc1ccc(F)cc1NC(=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide?
The InChIKey is WNNGNWBXQVIOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-13-2-7-16(21)10-17(13)22-19(26)24-9-8-23(18(25)12-24)11-14-3-5-15(20)6-4-14/h2-7,10H,8-9,11-12H2,1H3,(H,22,26).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide has a molecular weight of 375.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(5-fluoro-2-methylphenyl)-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 154838277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).