N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide

C22H25FN2O2 — CID 86966256

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CCC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-16-9-10-19(23)20(14-16)25-13-5-8-18(15-25)24-22(27)12-11-21(26)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H,24,27)
InChIKeyJNZSXWJLSNHLKV-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.88
Rot. Bonds6

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide (PubChem CID 86966256) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
PubChem CID86966256
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)CCC(=O)c3ccccc3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-16-9-10-19(23)20(14-16)25-13-5-8-18(15-25)24-22(27)12-11-21(26)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H,24,27)
InChIKeyJNZSXWJLSNHLKV-UHFFFAOYSA-N
XLogP3.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
N-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 86965265
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]acetamide
CID 86965405
3-acetamido-3-(4-chlorophenyl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965270
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 86966257
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86966235
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide (CID 86966256) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide is Cc1ccc(F)c(N2CCCC(NC(=O)CCC(=O)c3ccccc3)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide?
The InChIKey is JNZSXWJLSNHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-16-9-10-19(23)20(14-16)25-13-5-8-18(15-25)24-22(27)12-11-21(26)17-6-3-2-4-7-17/h2-4,6-7,9-10,14,18H,5,8,11-13,15H2,1H3,(H,24,27).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide has a molecular weight of 368.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 86966256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).