1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid

C18H25NO3 — CID 120512247

IUPAC1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
SMILESCC(CCCc1ccccc1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H25NO3/c1-14(6-5-9-15-7-3-2-4-8-15)17(20)19-12-10-16(11-13-19)18(21)22/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,21,22)
InChIKeyRWJNDEGOPIOQJV-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.97
Rot. Bonds6

About 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid

1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid (PubChem CID 120512247) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
PubChem CID120512247
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid
SMILESCC(CCCc1ccccc1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H25NO3/c1-14(6-5-9-15-7-3-2-4-8-15)17(20)19-12-10-16(11-13-19)18(21)22/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,21,22)
InChIKeyRWJNDEGOPIOQJV-UHFFFAOYSA-N
XLogP2.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122112872
1-[(2S)-2-amino-4-phenylbutanoyl]piperidine-4-carboxylic acid
CID 104984119
1-(2-methylpentanoyl)piperidine-4-carboxylic acid
CID 43209769
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-[2-(4-benzylpiperidin-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349611
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
1-(3-methyl-2-phenylbutanoyl)piperidine-4-carboxylic acid
CID 119349401
3-methyl-6-phenylhexan-2-one
CID 59396975
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid (CID 120512247) is 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid is CC(CCCc1ccccc1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid?
The InChIKey is RWJNDEGOPIOQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14(6-5-9-15-7-3-2-4-8-15)17(20)19-12-10-16(11-13-19)18(21)22/h2-4,7-8,14,16H,5-6,9-13H2,1H3,(H,21,22).
What are the key properties of 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid?
1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-phenylpentanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 120512247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).