N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide

C16H20ClFN2O3 — CID 75437232

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCC(O)CC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H20ClFN2O3/c17-13-9-11(1-2-14(13)18)10-19-15(22)3-4-16(23)20-7-5-12(21)6-8-20/h1-2,9,12,21H,3-8,10H2,(H,19,22)
InChIKeyATFOGDYKAROSTA-UHFFFAOYSA-N
MW342.80 g/mol
LogP1.86
Rot. Bonds5

About N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide

N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide (PubChem CID 75437232) has the molecular formula C16H20ClFN2O3 and a molecular weight of 342.80 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
PubChem CID75437232
Molecular FormulaC16H20ClFN2O3
Molecular Weight342.80 g/mol
Exact Mass342.11
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCC(O)CC1)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C16H20ClFN2O3/c17-13-9-11(1-2-14(13)18)10-19-15(22)3-4-16(23)20-7-5-12(21)6-8-20/h1-2,9,12,21H,3-8,10H2,(H,19,22)
InChIKeyATFOGDYKAROSTA-UHFFFAOYSA-N
XLogP1.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56905849
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
N-[(3-chloro-4-fluorophenyl)methyl]-3-piperidin-4-yloxypropanamide
CID 63905458
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
CID 60621030
3-(3-chloro-4-fluorophenyl)-1-morpholin-4-ylpropan-1-one
CID 139029147
4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 92925458
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
methyl (3R,4R)-1-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-3-methylpiperidine-4-carboxylate
CID 99830809
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933
2-(3-chloro-4-fluorophenyl)-1-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 56911600

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide (CID 75437232) is N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide is O=C(CCC(=O)N1CCC(O)CC1)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
The InChIKey is ATFOGDYKAROSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2O3/c17-13-9-11(1-2-14(13)18)10-19-15(22)3-4-16(23)20-7-5-12(21)6-8-20/h1-2,9,12,21H,3-8,10H2,(H,19,22).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide has a molecular weight of 342.80 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-4-(4-hydroxypiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 75437232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).