3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide

C17H24N2O4 — CID 128988937

IUPAC3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide
SMILESCCCOc1cccc(CC(=O)N2CCCC(O)(C(N)=O)C2)c1
InChIInChI=1S/C17H24N2O4/c1-2-9-23-14-6-3-5-13(10-14)11-15(20)19-8-4-7-17(22,12-19)16(18)21/h3,5-6,10,22H,2,4,7-9,11-12H2,1H3,(H2,18,21)
InChIKeyWMNBASZYNKFORN-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.86
Rot. Bonds6

About 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide

3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide (PubChem CID 128988937) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide
PubChem CID128988937
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide
SMILESCCCOc1cccc(CC(=O)N2CCCC(O)(C(N)=O)C2)c1
InChIInChI=1S/C17H24N2O4/c1-2-9-23-14-6-3-5-13(10-14)11-15(20)19-8-4-7-17(22,12-19)16(18)21/h3,5-6,10,22H,2,4,7-9,11-12H2,1H3,(H2,18,21)
InChIKeyWMNBASZYNKFORN-UHFFFAOYSA-N
XLogP0.86
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(3-bromophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129486382
(3S)-1-[2-(3-fluorophenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485444
1-[2-(4-ethoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128964748
3-hydroxy-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 146130229
1-[2-(5-fluoro-2-methoxyphenyl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 128988914
(3S)-3-hydroxy-1-[2-(2,4,6-trimethylphenyl)acetyl]piperidine-3-carboxamide
CID 100651991
2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 26407540
2-(3-methoxyphenyl)-1-[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 97483457
8-[2-(3-methoxyphenyl)acetyl]-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131662405
2-oxo-3-(3-propoxyphenyl)propanoic acid
CID 62497459
1-[2-(3-bromophenyl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134622
3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 128982995

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide (CID 128988937) is 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide is CCCOc1cccc(CC(=O)N2CCCC(O)(C(N)=O)C2)c1.
What is the InChIKey of 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is WMNBASZYNKFORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-2-9-23-14-6-3-5-13(10-14)11-15(20)19-8-4-7-17(22,12-19)16(18)21/h3,5-6,10,22H,2,4,7-9,11-12H2,1H3,(H2,18,21).
What are the key properties of 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide?
3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[2-(3-propoxyphenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 128988937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).