1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide

C14H18N2O4 — CID 43219698

IUPAC1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C14H18N2O4/c15-14(20)9-3-5-16(6-4-9)8-13(19)11-2-1-10(17)7-12(11)18/h1-2,7,9,17-18H,3-6,8H2,(H2,15,20)
InChIKeyBGTDZMAXCRSHMS-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.48
Rot. Bonds4

About 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 43219698) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID43219698
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)c2ccc(O)cc2O)CC1
InChIInChI=1S/C14H18N2O4/c15-14(20)9-3-5-16(6-4-9)8-13(19)11-2-1-10(17)7-12(11)18/h1-2,7,9,17-18H,3-6,8H2,(H2,15,20)
InChIKeyBGTDZMAXCRSHMS-UHFFFAOYSA-N
XLogP0.48
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-hydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228109
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
CID 60650473
2-(3-aminopiperidin-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 62036900
1-(2,4-dihydroxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 114798467
1-(2,4-dihydroxyphenyl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 79166787
ethyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperazine-1-carboxylate
CID 7198537
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2,4-dihydroxyphenyl)ethanone
CID 82749840
1-(2,4-dihydroxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886074
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485
1-[2-(4-cyanophenyl)-2-oxoethyl]piperidine-4-carboxamide
CID 43228110
1-[2-(3,4-dihydroxy-5-nitrophenyl)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 70031509
[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 27912053

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide (CID 43219698) is 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)c2ccc(O)cc2O)CC1.
What is the InChIKey of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is BGTDZMAXCRSHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c15-14(20)9-3-5-16(6-4-9)8-13(19)11-2-1-10(17)7-12(11)18/h1-2,7,9,17-18H,3-6,8H2,(H2,15,20).
What are the key properties of 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 43219698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).