4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid

C18H25NO5 — CID 119251458

IUPAC4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid
SMILESCC(C)CCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-13(2)7-12-24-15-5-3-14(4-6-15)16(20)19-10-8-18(23,9-11-19)17(21)22/h3-6,13,23H,7-12H2,1-2H3,(H,21,22)
InChIKeyFSTPLQGDIAGNQW-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.16
Rot. Bonds6

About 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 119251458) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID119251458
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid
SMILESCC(C)CCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1
InChIInChI=1S/C18H25NO5/c1-13(2)7-12-24-15-5-3-14(4-6-15)16(20)19-10-8-18(23,9-11-19)17(21)22/h3-6,13,23H,7-12H2,1-2H3,(H,21,22)
InChIKeyFSTPLQGDIAGNQW-UHFFFAOYSA-N
XLogP2.16
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(4-pentoxybenzoyl)piperidine-4-carboxylic acid
CID 119251411
1-(4-acetylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119250905
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
4-(3-methylbutoxy)-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17194765
[3-(methylaminomethyl)pyrrolidin-1-yl]-[4-(3-methylbutoxy)phenyl]methanone
CID 119540673
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
1-[4-(3-methylbutoxy)benzoyl]piperidine-3-carbohydrazide
CID 54793981
4-(4-methylpentoxy)benzoic acid
CID 22645282
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
4-hydroxy-1-[2-(4-propoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119251703
1-(3-chloro-4-methylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251452

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid (CID 119251458) is 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid is CC(C)CCOc1ccc(C(=O)N2CCC(O)(C(=O)O)CC2)cc1.
What is the InChIKey of 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is FSTPLQGDIAGNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-13(2)7-12-24-15-5-3-14(4-6-15)16(20)19-10-8-18(23,9-11-19)17(21)22/h3-6,13,23H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-(3-methylbutoxy)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119251458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).