4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

C19H23FN4O — CID 119069802

IUPAC4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)NCc3ccccc3F)CC2)cc(C)n1
InChIInChI=1S/C19H23FN4O/c1-14-11-17(12-15(2)22-14)23-7-9-24(10-8-23)19(25)21-13-16-5-3-4-6-18(16)20/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,25)
InChIKeyFADDKADSOZUATF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.87
Rot. Bonds3

About 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide

4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 119069802) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID119069802
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1cc(N2CCN(C(=O)NCc3ccccc3F)CC2)cc(C)n1
InChIInChI=1S/C19H23FN4O/c1-14-11-17(12-15(2)22-14)23-7-9-24(10-8-23)19(25)21-13-16-5-3-4-6-18(16)20/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,25)
InChIKeyFADDKADSOZUATF-UHFFFAOYSA-N
XLogP2.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113107500
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
2-(4-acetylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109326558
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
4-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109046
N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52899407
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-[(2-chlorophenyl)methyl]-4-(2-fluoro-4-pyridinyl)piperazine-1-carboxamide
CID 174195371
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
1-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 56820365

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide (CID 119069802) is 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is Cc1cc(N2CCN(C(=O)NCc3ccccc3F)CC2)cc(C)n1.
What is the InChIKey of 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is FADDKADSOZUATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-11-17(12-15(2)22-14)23-7-9-24(10-8-23)19(25)21-13-16-5-3-4-6-18(16)20/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,25).
What are the key properties of 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide?
4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-pyridinyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 119069802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).