N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C19H23FN4O — CID 17455398

IUPACN-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(c3ccccn3)CC2)cc1F
InChIInChI=1S/C19H23FN4O/c1-14-6-7-16(13-17(14)20)22-19(25)15(2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)
InChIKeyWQCDXHHZELRSNS-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.68
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 17455398) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID17455398
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)N2CCN(c3ccccn3)CC2)cc1F
InChIInChI=1S/C19H23FN4O/c1-14-6-7-16(13-17(14)20)22-19(25)15(2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13,15H,9-12H2,1-2H3,(H,22,25)
InChIKeyWQCDXHHZELRSNS-UHFFFAOYSA-N
XLogP2.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17450770
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
N-[4-(hydroxyamino)-2-methylphenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 134593260
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
(2R)-N-(2,5-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446163
(2S)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459358
N-(4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 42912077
(2R)-N-(4-ethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446065
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
N-(3-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46561315
(2S)-N-(3-fluoro-4-methylphenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propanamide
CID 99619873
(2R)-N-(3-fluoro-4-methylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 9461953

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 17455398) is N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is Cc1ccc(NC(=O)C(C)N2CCN(c3ccccn3)CC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is WQCDXHHZELRSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-6-7-16(13-17(14)20)22-19(25)15(2)23-9-11-24(12-10-23)18-5-3-4-8-21-18/h3-8,13,15H,9-12H2,1-2H3,(H,22,25).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 342.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 17455398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).