4-(3-carbamoylpiperidin-1-yl)benzoic acid

C13H16N2O3 — CID 43200255

IUPAC4-(3-carbamoylpiperidin-1-yl)benzoic acid
SMILESNC(=O)C1CCCN(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C13H16N2O3/c14-12(16)10-2-1-7-15(8-10)11-5-3-9(4-6-11)13(17)18/h3-6,10H,1-2,7-8H2,(H2,14,16)(H,17,18)
InChIKeyPOZFBOCPKOCIHY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds3

About 4-(3-carbamoylpiperidin-1-yl)benzoic acid

4-(3-carbamoylpiperidin-1-yl)benzoic acid (PubChem CID 43200255) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-(3-carbamoylpiperidin-1-yl)benzoic acid.

Molecular Properties

Compound Name4-(3-carbamoylpiperidin-1-yl)benzoic acid
PubChem CID43200255
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-(3-carbamoylpiperidin-1-yl)benzoic acid
SMILESNC(=O)C1CCCN(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C13H16N2O3/c14-12(16)10-2-1-7-15(8-10)11-5-3-9(4-6-11)13(17)18/h3-6,10H,1-2,7-8H2,(H2,14,16)(H,17,18)
InChIKeyPOZFBOCPKOCIHY-UHFFFAOYSA-N
XLogP1.09
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoylpiperidin-1-yl)benzoic acid?
The IUPAC name of 4-(3-carbamoylpiperidin-1-yl)benzoic acid (CID 43200255) is 4-(3-carbamoylpiperidin-1-yl)benzoic acid.
What is the SMILES notation for 4-(3-carbamoylpiperidin-1-yl)benzoic acid?
The canonical SMILES for 4-(3-carbamoylpiperidin-1-yl)benzoic acid is NC(=O)C1CCCN(c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-(3-carbamoylpiperidin-1-yl)benzoic acid?
The InChIKey is POZFBOCPKOCIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-12(16)10-2-1-7-15(8-10)11-5-3-9(4-6-11)13(17)18/h3-6,10H,1-2,7-8H2,(H2,14,16)(H,17,18).
What are the key properties of 4-(3-carbamoylpiperidin-1-yl)benzoic acid?
4-(3-carbamoylpiperidin-1-yl)benzoic acid has a molecular weight of 248.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoylpiperidin-1-yl)benzoic acid is sourced from PubChem (CID 43200255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).