1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

C15H17NO5 — CID 119250905

IUPAC1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C15H17NO5/c1-10(17)11-2-4-12(5-3-11)13(18)16-8-6-15(21,7-9-16)14(19)20/h2-5,21H,6-9H2,1H3,(H,19,20)
InChIKeyNYFJLBABPQSRBG-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.94
Rot. Bonds3

About 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid

1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (PubChem CID 119250905) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
PubChem CID119250905
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C15H17NO5/c1-10(17)11-2-4-12(5-3-11)13(18)16-8-6-15(21,7-9-16)14(19)20/h2-5,21H,6-9H2,1H3,(H,19,20)
InChIKeyNYFJLBABPQSRBG-UHFFFAOYSA-N
XLogP0.94
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452
4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
CID 119251411
4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid
CID 119251458
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251925
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195
4-hydroxy-1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidine-4-carboxylic acid
CID 119250921
1-(3-chloro-5-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528177
1-[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251541

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid (CID 119250905) is 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is CC(=O)c1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1.
What is the InChIKey of 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
The InChIKey is NYFJLBABPQSRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-10(17)11-2-4-12(5-3-11)13(18)16-8-6-15(21,7-9-16)14(19)20/h2-5,21H,6-9H2,1H3,(H,19,20).
What are the key properties of 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid?
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid is sourced from PubChem (CID 119250905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).