4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid

C18H25NO5 — CID 119251411

IUPAC4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
SMILESCCCCCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-2-3-4-13-24-15-7-5-14(6-8-15)16(20)19-11-9-18(23,10-12-19)17(21)22/h5-8,23H,2-4,9-13H2,1H3,(H,21,22)
InChIKeyFYAKVZHRCJCMJD-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.31
Rot. Bonds7

About 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid

4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid (PubChem CID 119251411) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
PubChem CID119251411
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
SMILESCCCCCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-2-3-4-13-24-15-7-5-14(6-8-15)16(20)19-11-9-18(23,10-12-19)17(21)22/h5-8,23H,2-4,9-13H2,1H3,(H,21,22)
InChIKeyFYAKVZHRCJCMJD-UHFFFAOYSA-N
XLogP2.31
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid
CID 119251458
(4-aminopiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 92922661
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(4-pentoxyphenyl)methanone
CID 11875760
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674
(3-hydroxypiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 110878335
1-(4-butoxy-3-chloro-5-ethoxybenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251784
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
CID 120808706
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-pentoxyphenyl)methanone
CID 120814614

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid (CID 119251411) is 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid is CCCCCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1.
What is the InChIKey of 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid?
The InChIKey is FYAKVZHRCJCMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-2-3-4-13-24-15-7-5-14(6-8-15)16(20)19-11-9-18(23,10-12-19)17(21)22/h5-8,23H,2-4,9-13H2,1H3,(H,21,22).
What are the key properties of 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).