1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide

C17H22FN3O2 — CID 155872854

IUPAC1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H22FN3O2/c1-19-16(23)17(20-14-4-2-3-13(18)11-14)7-9-21(10-8-17)15(22)12-5-6-12/h2-4,11-12,20H,5-10H2,1H3,(H,19,23)
InChIKeyRBUIDYYXHWCJGF-UHFFFAOYSA-N
MW319.38 g/mol
LogP1.75
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide

1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide (PubChem CID 155872854) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
PubChem CID155872854
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H22FN3O2/c1-19-16(23)17(20-14-4-2-3-13(18)11-14)7-9-21(10-8-17)15(22)12-5-6-12/h2-4,11-12,20H,5-10H2,1H3,(H,19,23)
InChIKeyRBUIDYYXHWCJGF-UHFFFAOYSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutanecarbonyl)-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880079
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 155871908
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
CID 155873184
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
3-(3-fluoroanilino)-N-methyl-1-[(E)-3-thiophen-2-ylprop-2-enoyl]pyrrolidine-3-carboxamide
CID 155872984
3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
CID 155873216

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide (CID 155872854) is 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
The InChIKey is RBUIDYYXHWCJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-19-16(23)17(20-14-4-2-3-13(18)11-14)7-9-21(10-8-17)15(22)12-5-6-12/h2-4,11-12,20H,5-10H2,1H3,(H,19,23).
What are the key properties of 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide has a molecular weight of 319.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155872854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).