1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid

C18H25NO3 — CID 119176003

IUPAC1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CCCCC(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C18H25NO3/c1-14-9-11-15(12-10-14)6-2-3-8-17(20)19-13-5-4-7-16(19)18(21)22/h9-12,16H,2-8,13H2,1H3,(H,21,22)
InChIKeyMFCJZLJVVPIQRZ-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.17
Rot. Bonds6

About 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid

1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid (PubChem CID 119176003) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
PubChem CID119176003
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
SMILESCc1ccc(CCCCC(=O)N2CCCCC2C(=O)O)cc1
InChIInChI=1S/C18H25NO3/c1-14-9-11-15(12-10-14)6-2-3-8-17(20)19-13-5-4-7-16(19)18(21)22/h9-12,16H,2-8,13H2,1H3,(H,21,22)
InChIKeyMFCJZLJVVPIQRZ-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 119437112
(3R)-4-[4-(4-methylphenyl)butanoyl]morpholine-3-carboxylic acid
CID 125152832
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
(3S)-1-[5-(4-methylphenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124696647
1-[3-(3-methylphenyl)propanoyl]azepane-2-carboxylic acid
CID 64559157
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
1-(3-pyridin-4-ylpropanoyl)piperidine-2-carboxylic acid
CID 110835597
(2R)-1-[3-(4-methylphenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922353
1-decanoylazepane-2-carboxylic acid
CID 64558604

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid (CID 119176003) is 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid is Cc1ccc(CCCCC(=O)N2CCCCC2C(=O)O)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid?
The InChIKey is MFCJZLJVVPIQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-9-11-15(12-10-14)6-2-3-8-17(20)19-13-5-4-7-16(19)18(21)22/h9-12,16H,2-8,13H2,1H3,(H,21,22).
What are the key properties of 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid?
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).