N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

C20H24FN3O — CID 17297980

IUPACN-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H24FN3O/c1-15-4-3-5-19(16(15)2)22-20(25)24-12-10-23(11-13-24)14-17-6-8-18(21)9-7-17/h3-9H,10-14H2,1-2H3,(H,22,25)
InChIKeyIBXWHQRVEQCTON-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.79
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide

N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 17297980) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID17297980
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1C
InChIInChI=1S/C20H24FN3O/c1-15-4-3-5-19(16(15)2)22-20(25)24-12-10-23(11-13-24)14-17-6-8-18(21)9-7-17/h3-9H,10-14H2,1-2H3,(H,22,25)
InChIKeyIBXWHQRVEQCTON-UHFFFAOYSA-N
XLogP3.79
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
4-[bis(4-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 4988036
4-[(4-chlorophenyl)methyl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 6471022
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
N-(2,3-dimethylphenyl)-4-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53029113
N-[4-(diethylamino)-2-methylphenyl]-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107613
4-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113107875
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
CID 175260722
2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9435201
N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107101
N-(2,3-dimethylphenyl)-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105204

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 17297980) is N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is Cc1cccc(NC(=O)N2CCN(Cc3ccc(F)cc3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is IBXWHQRVEQCTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-15-4-3-5-19(16(15)2)22-20(25)24-12-10-23(11-13-24)14-17-6-8-18(21)9-7-17/h3-9H,10-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 17297980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).