4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C19H23FN4O — CID 139547744

IUPAC4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1
InChIInChI=1S/C19H23FN4O/c1-14(2)15-3-6-17(7-4-15)22-19(25)24-11-9-23(10-12-24)18-8-5-16(20)13-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyDPJOQPUEUIICMK-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.70
Rot. Bonds3

About 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 139547744) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID139547744
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1
InChIInChI=1S/C19H23FN4O/c1-14(2)15-3-6-17(7-4-15)22-19(25)24-11-9-23(10-12-24)18-8-5-16(20)13-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25)
InChIKeyDPJOQPUEUIICMK-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063682
4-(5-fluoro-2-pyridinyl)-N-(5-hydroxypyrimidin-2-yl)piperazine-1-carboxamide
CID 142622772
methane;1-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone;4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)-1,4-diazepane-1-carboxamide;bis(4-(5-methyl-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide)
CID 161299123
4-(3,5-dichloro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 10200562
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
4-(5-cyanopyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide;5-[4-[2-(4-propan-2-ylphenyl)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 158236211
1-[4-(5-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 176935100
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
CID 165380767
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010
4-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112384

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 139547744) is 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)cc1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is DPJOQPUEUIICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14(2)15-3-6-17(7-4-15)22-19(25)24-11-9-23(10-12-24)18-8-5-16(20)13-21-18/h3-8,13-14H,9-12H2,1-2H3,(H,22,25).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 139547744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).