3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide

C16H22N2O3 — CID 70734679

IUPAC3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C16H22N2O3/c17-15(20)7-6-12-4-2-8-18(11-12)16(21)10-13-3-1-5-14(19)9-13/h1,3,5,9,12,19H,2,4,6-8,10-11H2,(H2,17,20)
InChIKeyWJXHCVNCJDWUCO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.44
Rot. Bonds5

About 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide

3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide (PubChem CID 70734679) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide
PubChem CID70734679
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide
SMILESNC(=O)CCC1CCCN(C(=O)Cc2cccc(O)c2)C1
InChIInChI=1S/C16H22N2O3/c17-15(20)7-6-12-4-2-8-18(11-12)16(21)10-13-3-1-5-14(19)9-13/h1,3,5,9,12,19H,2,4,6-8,10-11H2,(H2,17,20)
InChIKeyWJXHCVNCJDWUCO-UHFFFAOYSA-N
XLogP1.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45225552
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
2-(3-hydroxyphenyl)-1-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 95894928
3-[(3S)-1-[2-(3-methoxyphenyl)acetyl]piperidin-3-yl]propanoic acid
CID 124688981
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 55220165
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone;hydrochloride
CID 120727726
2-[(3S)-1-[2-(3-aminophenyl)acetyl]piperidin-3-yl]acetic acid
CID 124512791
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 62372342
1-[3-(2-hydroxyethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 62371471
1-(3-aminopiperidin-1-yl)-2-(3-iodophenyl)ethanone;hydrochloride
CID 119378221

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide?
The IUPAC name of 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide (CID 70734679) is 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide.
What is the SMILES notation for 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide?
The canonical SMILES for 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide is NC(=O)CCC1CCCN(C(=O)Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide?
The InChIKey is WJXHCVNCJDWUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c17-15(20)7-6-12-4-2-8-18(11-12)16(21)10-13-3-1-5-14(19)9-13/h1,3,5,9,12,19H,2,4,6-8,10-11H2,(H2,17,20).
What are the key properties of 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide?
3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-hydroxyphenyl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 70734679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).