N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide

C17H24FN3O2 — CID 119758040

IUPACN-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)Nc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C17H24FN3O2/c1-12(13-6-8-19-9-7-13)10-16(22)20-11-17(23)21-15-4-2-14(18)3-5-15/h2-5,12-13,19H,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOCGVEQYOZYLPQK-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide

N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119758040) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
PubChem CID119758040
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)Nc1ccc(F)cc1)C1CCNCC1
InChIInChI=1S/C17H24FN3O2/c1-12(13-6-8-19-9-7-13)10-16(22)20-11-17(23)21-15-4-2-14(18)3-5-15/h2-5,12-13,19H,6-11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOCGVEQYOZYLPQK-UHFFFAOYSA-N
XLogP1.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-methylbutanamide
CID 5205104
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-[4-(difluoromethylsulfanyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119669006
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
N-[4-(4-chloroanilino)-4-oxobutyl]-3-piperidin-4-ylbutanamide
CID 119738720
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide (CID 119758040) is N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(=O)Nc1ccc(F)cc1)C1CCNCC1.
What is the InChIKey of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is OCGVEQYOZYLPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(13-6-8-19-9-7-13)10-16(22)20-11-17(23)21-15-4-2-14(18)3-5-15/h2-5,12-13,19H,6-11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 321.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119758040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).