1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one

C14H17NO3 — CID 23036974

IUPAC1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one
SMILESCC(C(=O)N1CCCCC1=O)c1cccc(O)c1
InChIInChI=1S/C14H17NO3/c1-10(11-5-4-6-12(16)9-11)14(18)15-8-3-2-7-13(15)17/h4-6,9-10,16H,2-3,7-8H2,1H3
InChIKeyDRNISTPINQQVFZ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.03
Rot. Bonds2

About 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one

1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one (PubChem CID 23036974) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one
PubChem CID23036974
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one
SMILESCC(C(=O)N1CCCCC1=O)c1cccc(O)c1
InChIInChI=1S/C14H17NO3/c1-10(11-5-4-6-12(16)9-11)14(18)15-8-3-2-7-13(15)17/h4-6,9-10,16H,2-3,7-8H2,1H3
InChIKeyDRNISTPINQQVFZ-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropanoyl)azepan-2-one
CID 86179400
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide
CID 166256025
1-[2-(3-hydroxyphenyl)-2-oxoethyl]piperidin-2-one
CID 105492599
N-[1-(3,4-dihydroxyphenyl)ethyl]-2-oxoazepane-1-carboxamide
CID 175210938
1-[(2R)-4-ethylsulfonyl-2-methylpiperazin-1-yl]-2-(3-hydroxyphenyl)propan-1-one
CID 138023492
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488
2-oxo-N-propan-2-ylpiperidine-1-carboxamide
CID 173438091
1-(2-oxopiperidin-1-yl)-2-phenylethane-1,2-dione
CID 14228168
1-[2-[ethyl-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]ethyl]pyrrolidin-2-one
CID 124754856
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
2-(2-oxoazepan-1-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 41074693
3-[(S)-[(2S)-1-methylpiperidin-2-yl]-phenylmethyl]phenol
CID 129360203

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one?
The IUPAC name of 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one (CID 23036974) is 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one?
The canonical SMILES for 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one is CC(C(=O)N1CCCCC1=O)c1cccc(O)c1.
What is the InChIKey of 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one?
The InChIKey is DRNISTPINQQVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(11-5-4-6-12(16)9-11)14(18)15-8-3-2-7-13(15)17/h4-6,9-10,16H,2-3,7-8H2,1H3.
What are the key properties of 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one?
1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one is sourced from PubChem (CID 23036974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).