1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid

C23H25NO3 — CID 119168328

IUPAC1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCc1cccc(C2(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H25NO3/c1-17-6-5-9-19(16-17)22(10-11-22)20(25)24-14-12-23(13-15-24,21(26)27)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,26,27)
InChIKeyPBBZUQKPLYIHGA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.67
Rot. Bonds4

About 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid

1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168328) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168328
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCc1cccc(C2(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)CC2)c1
InChIInChI=1S/C23H25NO3/c1-17-6-5-9-19(16-17)22(10-11-22)20(25)24-14-12-23(13-15-24,21(26)27)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,26,27)
InChIKeyPBBZUQKPLYIHGA-UHFFFAOYSA-N
XLogP3.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid (CID 119168328) is 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid is Cc1cccc(C2(C(=O)N3CCC(C(=O)O)(c4ccccc4)CC3)CC2)c1.
What is the InChIKey of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is PBBZUQKPLYIHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-17-6-5-9-19(16-17)22(10-11-22)20(25)24-14-12-23(13-15-24,21(26)27)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,26,27).
What are the key properties of 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 363.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).