1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid

C14H18N2O3 — CID 63136252

IUPAC1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H18N2O3/c1-14(13(18)19)7-2-8-16(9-14)11-5-3-10(4-6-11)12(15)17/h3-6H,2,7-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyGVJCKHGNFATXRF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.48
Rot. Bonds3

About 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid

1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136252) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63136252
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C14H18N2O3/c1-14(13(18)19)7-2-8-16(9-14)11-5-3-10(4-6-11)12(15)17/h3-6H,2,7-9H2,1H3,(H2,15,17)(H,18,19)
InChIKeyGVJCKHGNFATXRF-UHFFFAOYSA-N
XLogP1.48
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid (CID 63136252) is 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is GVJCKHGNFATXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(13(18)19)7-2-8-16(9-14)11-5-3-10(4-6-11)12(15)17/h3-6H,2,7-9H2,1H3,(H2,15,17)(H,18,19).
What are the key properties of 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid?
1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).