N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C19H26FN3O2 — CID 155871908

IUPACN-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C19H26FN3O2/c1-13(2)17(24)23-10-8-19(9-11-23,18(25)21-15-6-7-15)22-16-5-3-4-14(20)12-16/h3-5,12-13,15,22H,6-11H2,1-2H3,(H,21,25)
InChIKeyJXINWFWXZXMUIS-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.53
Rot. Bonds5

About N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 155871908) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID155871908
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C19H26FN3O2/c1-13(2)17(24)23-10-8-19(9-11-23,18(25)21-15-6-7-15)22-16-5-3-4-14(20)12-16/h3-5,12-13,15,22H,6-11H2,1-2H3,(H,21,25)
InChIKeyJXINWFWXZXMUIS-UHFFFAOYSA-N
XLogP2.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
CID 155873184
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358
1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
CID 155879755
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
4-(3-fluoroanilino)-N-propan-2-yl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxamide
CID 155879747
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
(2S)-N-cyclopropyl-2-[[3-(3-fluorophenyl)phenyl]methyl]-4-(2-methylpropanoyl)morpholine-2-carboxamide
CID 92553084
1-[4-[(3-fluorophenyl)methylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43434840

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 155871908) is N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is JXINWFWXZXMUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-13(2)17(24)23-10-8-19(9-11-23,18(25)21-15-6-7-15)22-16-5-3-4-14(20)12-16/h3-5,12-13,15,22H,6-11H2,1-2H3,(H,21,25).
What are the key properties of N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 155871908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).