1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide

C16H22N2O4 — CID 128964748

IUPAC1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESCCOc1ccc(CC(=O)N2CCCC(O)(C(N)=O)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-2-22-13-6-4-12(5-7-13)10-14(19)18-9-3-8-16(21,11-18)15(17)20/h4-7,21H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyOEZLAFMHGVPCDS-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.47
Rot. Bonds5

About 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide

1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128964748) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128964748
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
SMILESCCOc1ccc(CC(=O)N2CCCC(O)(C(N)=O)C2)cc1
InChIInChI=1S/C16H22N2O4/c1-2-22-13-6-4-12(5-7-13)10-14(19)18-9-3-8-16(21,11-18)15(17)20/h4-7,21H,2-3,8-11H2,1H3,(H2,17,20)
InChIKeyOEZLAFMHGVPCDS-UHFFFAOYSA-N
XLogP0.47
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide
CID 128988937
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279
1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128988899
(3S)-1-[2-(4-ethoxyphenyl)acetyl]-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92593612
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide (CID 128964748) is 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide is CCOc1ccc(CC(=O)N2CCCC(O)(C(N)=O)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is OEZLAFMHGVPCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-2-22-13-6-4-12(5-7-13)10-14(19)18-9-3-8-16(21,11-18)15(17)20/h4-7,21H,2-3,8-11H2,1H3,(H2,17,20).
What are the key properties of 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide?
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128964748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).