N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide

C22H26FN3O2 — CID 119740430

IUPACN-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)C1CCNCC1
InChIInChI=1S/C22H26FN3O2/c1-15(16-8-10-24-11-9-16)12-21(27)25-19-6-2-4-17(13-19)22(28)26-20-7-3-5-18(23)14-20/h2-7,13-16,24H,8-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyCUHBJNFDFIPNFC-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.04
Rot. Bonds6

About N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide

N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide (PubChem CID 119740430) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
PubChem CID119740430
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
SMILESCC(CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)C1CCNCC1
InChIInChI=1S/C22H26FN3O2/c1-15(16-8-10-24-11-9-16)12-21(27)25-19-6-2-4-17(13-19)22(28)26-20-7-3-5-18(23)14-20/h2-7,13-16,24H,8-12H2,1H3,(H,25,27)(H,26,28)
InChIKeyCUHBJNFDFIPNFC-UHFFFAOYSA-N
XLogP4.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.04
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
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-[3-[(3-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 119298680
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-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474
3-(3-piperidin-3-ylbutanoylamino)-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119870552
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide (CID 119740430) is N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide is CC(CC(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1)C1CCNCC1.
What is the InChIKey of N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide?
The InChIKey is CUHBJNFDFIPNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-15(16-8-10-24-11-9-16)12-21(27)25-19-6-2-4-17(13-19)22(28)26-20-7-3-5-18(23)14-20/h2-7,13-16,24H,8-12H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide?
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide has a molecular weight of 383.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide is sourced from PubChem (CID 119740430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).