4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide

C16H24FN3O — CID 155878797

IUPAC4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(C)CC1
InChIInChI=1S/C16H24FN3O/c1-12(2)18-15(21)16(7-9-20(3)10-8-16)19-14-6-4-5-13(17)11-14/h4-6,11-12,19H,7-10H2,1-3H3,(H,18,21)
InChIKeyNKFOPHYVKRPPGB-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.23
Rot. Bonds4

About 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide

4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 155878797) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID155878797
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(C)CC1
InChIInChI=1S/C16H24FN3O/c1-12(2)18-15(21)16(7-9-20(3)10-8-16)19-14-6-4-5-13(17)11-14/h4-6,11-12,19H,7-10H2,1-3H3,(H,18,21)
InChIKeyNKFOPHYVKRPPGB-UHFFFAOYSA-N
XLogP2.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
CID 155879755
4-(3-fluoroanilino)-N-propan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;formic acid
CID 155878709
4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721
4-(3-fluoroanilino)-N-propan-2-yl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxamide
CID 155879747
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 155871908
1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
CID 61123946
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
CID 62389643
methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 155878797) is 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(C)CC1.
What is the InChIKey of 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is NKFOPHYVKRPPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-12(2)18-15(21)16(7-9-20(3)10-8-16)19-14-6-4-5-13(17)11-14/h4-6,11-12,19H,7-10H2,1-3H3,(H,18,21).
What are the key properties of 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide?
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155878797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).