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

C20H26FN3O2 — CID 155873184

IUPACN-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
SMILESO=C(CC1CC1)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H26FN3O2/c21-15-2-1-3-17(13-15)23-20(19(26)22-16-6-7-16)8-10-24(11-9-20)18(25)12-14-4-5-14/h1-3,13-14,16,23H,4-12H2,(H,22,26)
InChIKeyZBWPCPFVWQKTAV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.68
Rot. Bonds6

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

N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide (PubChem CID 155873184) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
PubChem CID155873184
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide
SMILESO=C(CC1CC1)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H26FN3O2/c21-15-2-1-3-17(13-15)23-20(19(26)22-16-6-7-16)8-10-24(11-9-20)18(25)12-14-4-5-14/h1-3,13-14,16,23H,4-12H2,(H,22,26)
InChIKeyZBWPCPFVWQKTAV-UHFFFAOYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(3-fluoroanilino)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 155871908
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
CID 155879755
1-anilino-N-[4-(hydroxymethyl)cyclohexyl]cyclopropane-1-carboxamide
CID 126839947
2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020123
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
1-(3-fluoroanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64514036
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
3-(3-fluoroanilino)-N-methyl-1-(2-thiophen-3-ylacetyl)pyrrolidine-3-carboxamide
CID 155873216

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide (CID 155873184) is N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide is O=C(CC1CC1)N1CCC(Nc2cccc(F)c2)(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide?
The InChIKey is ZBWPCPFVWQKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c21-15-2-1-3-17(13-15)23-20(19(26)22-16-6-7-16)8-10-24(11-9-20)18(25)12-14-4-5-14/h1-3,13-14,16,23H,4-12H2,(H,22,26).
What are the key properties of N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide?
N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-cyclopropylacetyl)-4-(3-fluoroanilino)piperidine-4-carboxamide is sourced from PubChem (CID 155873184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).