4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid

C22H25NO3 — CID 45433205

IUPAC4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25NO3/c1-16(2)17-8-10-18(11-9-17)20(24)23-14-12-22(13-15-23,21(25)26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,25,26)
InChIKeyNFGIOZHALAFIFS-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.07
Rot. Bonds4

About 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid

4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid (PubChem CID 45433205) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
PubChem CID45433205
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H25NO3/c1-16(2)17-8-10-18(11-9-17)20(24)23-14-12-22(13-15-23,21(25)26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,25,26)
InChIKeyNFGIOZHALAFIFS-UHFFFAOYSA-N
XLogP4.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45338237
4-phenyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 71065837
1-(3-chlorobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433186
phenyl-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]methanone
CID 38031441
4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 45433546
1-(4-chloro-3-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 120512900
1-ethyl-4-(4-propan-2-ylphenyl)piperidine-4-carboxylic acid
CID 95478207
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid (CID 45433205) is 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid is CC(C)c1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid?
The InChIKey is NFGIOZHALAFIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-16(2)17-8-10-18(11-9-17)20(24)23-14-12-22(13-15-23,21(25)26)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3,(H,25,26).
What are the key properties of 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid?
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid has a molecular weight of 351.45 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 45433205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).