1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid

C23H25NO4 — CID 119168175

IUPAC1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H25NO4/c1-28-19-10-6-5-9-18(19)23(11-12-23)20(25)24-15-13-22(14-16-24,21(26)27)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,26,27)
InChIKeyQCKGHMWNCSNRDD-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.37
Rot. Bonds5

About 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid

1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168175) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168175
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCOc1ccccc1C1(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)CC1
InChIInChI=1S/C23H25NO4/c1-28-19-10-6-5-9-18(19)23(11-12-23)20(25)24-15-13-22(14-16-24,21(26)27)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,26,27)
InChIKeyQCKGHMWNCSNRDD-UHFFFAOYSA-N
XLogP3.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methoxyphenyl)cyclopropyl]-piperidin-1-ylmethanone
CID 30945052
1-(2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 23151680
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
(3R)-1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 97064118
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 71915693
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-methoxyphenyl)cyclopropyl]methanone;hydrochloride
CID 120816573
1-(2-methoxyphenyl)cyclopent-3-ene-1-carboxylic acid
CID 65353394
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873
[1-(2-methoxyphenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 110436782
[1-(2-methoxyphenyl)cyclopropyl]-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343425
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[1-(2-methoxyphenyl)cyclopropyl]methanone
CID 122332260

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid (CID 119168175) is 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid is COc1ccccc1C1(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is QCKGHMWNCSNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-28-19-10-6-5-9-18(19)23(11-12-23)20(25)24-15-13-22(14-16-24,21(26)27)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3,(H,26,27).
What are the key properties of 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).