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

C17H24FN3O2 — CID 119758092

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)Nc1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C17H24FN3O2/c1-12(13-5-7-19-8-6-13)9-16(22)20-11-17(23)21-15-4-2-3-14(18)10-15/h2-4,10,12-13,19H,5-9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOMXAHSJSWZVLNT-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.91
Rot. Bonds6

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

N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119758092) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
PubChem CID119758092
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(=O)Nc1cccc(F)c1)C1CCNCC1
InChIInChI=1S/C17H24FN3O2/c1-12(13-5-7-19-8-6-13)9-16(22)20-11-17(23)21-15-4-2-3-14(18)10-15/h2-4,10,12-13,19H,5-9,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyOMXAHSJSWZVLNT-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-(4-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758040
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
N-[2-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 119308743
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-4-ylbutanamide
CID 119815273
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide (CID 119758092) is N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(=O)Nc1cccc(F)c1)C1CCNCC1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is OMXAHSJSWZVLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(13-5-7-19-8-6-13)9-16(22)20-11-17(23)21-15-4-2-3-14(18)10-15/h2-4,10,12-13,19H,5-9,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide?
N-[2-(3-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-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119758092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).