1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid

C14H18N2O3 — CID 3153620

IUPAC1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-10-4-6-12(7-5-10)15-14(19)16-8-2-3-11(9-16)13(17)18/h4-7,11H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyYYGCLPMKIMGWKO-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.32
Rot. Bonds2

About 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid

1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 3153620) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID3153620
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C14H18N2O3/c1-10-4-6-12(7-5-10)15-14(19)16-8-2-3-11(9-16)13(17)18/h4-7,11H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyYYGCLPMKIMGWKO-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 3153620) is 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is YYGCLPMKIMGWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-6-12(7-5-10)15-14(19)16-8-2-3-11(9-16)13(17)18/h4-7,11H,2-3,8-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3153620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).