4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid

C17H17NO4 — CID 119250762

IUPAC4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cccc2ccccc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H17NO4/c19-15(18-10-8-17(22,9-11-18)16(20)21)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,22H,8-11H2,(H,20,21)
InChIKeyUTWKDGVJPARVCD-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.89
Rot. Bonds2

About 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid

4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid (PubChem CID 119250762) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
PubChem CID119250762
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(c1cccc2ccccc12)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C17H17NO4/c19-15(18-10-8-17(22,9-11-18)16(20)21)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,22H,8-11H2,(H,20,21)
InChIKeyUTWKDGVJPARVCD-UHFFFAOYSA-N
XLogP1.89
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-[4-hydroxy-1-(naphthalene-1-carbonyl)piperidin-4-yl]acetic acid
CID 138014409
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
[4-methyl-4-(methylamino)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 115304562
[4-(hydroxymethyl)-4-(2-phenylethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 42191937
1-(benzo[f]quinoline-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528096
1-(3-bromo-2-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250906
4-hydroxy-1-(2-pyrazol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 56871973
4-hydroxy-1-[2-(phenoxymethyl)benzoyl]piperidine-4-carboxylic acid
CID 119251922
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
naphthalen-1-yl(1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)methanone
CID 67393097
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid (CID 119250762) is 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid is O=C(c1cccc2ccccc12)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is UTWKDGVJPARVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-15(18-10-8-17(22,9-11-18)16(20)21)14-7-3-5-12-4-1-2-6-13(12)14/h1-7,22H,8-11H2,(H,20,21).
What are the key properties of 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119250762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).