4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid

C18H25NO4 — CID 70788551

IUPAC4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
SMILESCc1cccc(OC2(C(=O)O)CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C18H25NO4/c1-14-3-2-4-16(11-14)23-18(17(20)21)6-8-19(9-7-18)12-15-5-10-22-13-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,20,21)
InChIKeyAIZVUXZHLHYWLV-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.33
Rot. Bonds5

About 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid

4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 70788551) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
PubChem CID70788551
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid
SMILESCc1cccc(OC2(C(=O)O)CCN(CC3CCOC3)CC2)c1
InChIInChI=1S/C18H25NO4/c1-14-3-2-4-16(11-14)23-18(17(20)21)6-8-19(9-7-18)12-15-5-10-22-13-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,20,21)
InChIKeyAIZVUXZHLHYWLV-UHFFFAOYSA-N
XLogP2.33
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-naphthalen-2-yloxy-1-[[(3R)-oxolan-3-yl]methyl]piperidine-4-carboxylic acid
CID 95862486
1-[(4-aminocyclohexyl)methyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
CID 56883083
1-(3-methylphenoxy)cyclopropane-1-carboxylic acid
CID 83920700
1-[(3R)-oxolane-3-carbonyl]-4-phenoxypiperidine-4-carboxylic acid
CID 95880890
1-(oxolan-3-ylmethyl)-4-(3-phenylpropyl)piperidine-4-carboxylic acid
CID 56879985
2-(2,5-dimethylphenyl)-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]acetamide
CID 95631988
1-[2-(5-methyl-3,4-dihydropyrazol-2-yl)acetyl]-4-(3-methylphenoxy)piperidine-4-carboxylic acid
CID 56900428
3-(3-methylphenoxy)thiolane-3-carboxylic acid
CID 82236589
benzyl 4-(oxolan-3-ylmethyl)piperazine-1-carboxylate
CID 71858020
4-(3-methylphenoxy)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 70711344
1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977204
1-(cyclohex-3-en-1-ylmethyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56916085

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid (CID 70788551) is 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid is Cc1cccc(OC2(C(=O)O)CCN(CC3CCOC3)CC2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is AIZVUXZHLHYWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-14-3-2-4-16(11-14)23-18(17(20)21)6-8-19(9-7-18)12-15-5-10-22-13-15/h2-4,11,15H,5-10,12-13H2,1H3,(H,20,21).
What are the key properties of 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid?
4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-1-(oxolan-3-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70788551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).