2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid

C14H18N2O3 — CID 114199832

IUPAC2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)NN1CCCCC1
InChIInChI=1S/C14H18N2O3/c17-13(18)10-11-6-2-3-7-12(11)14(19)15-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H,15,19)(H,17,18)
InChIKeyPRXQTQIFVZSQLJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds4

About 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid

2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid (PubChem CID 114199832) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
PubChem CID114199832
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1C(=O)NN1CCCCC1
InChIInChI=1S/C14H18N2O3/c17-13(18)10-11-6-2-3-7-12(11)14(19)15-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H,15,19)(H,17,18)
InChIKeyPRXQTQIFVZSQLJ-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-1-ylbenzo[e]azulene-3-carboxamide
CID 69039955
2-[2-(cyclohexylcarbamoyl)phenyl]acetic acid
CID 114199766
2-(aminomethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 82546934
2-methyl-N-piperidin-1-ylquinoline-4-carboxamide
CID 9271376
2-[[4-(2-methylbutan-2-yl)triazol-1-yl]methyl]-N-piperidin-1-ylbenzamide
CID 166326646
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827
2-(2-aminoethyl)-N-morpholin-4-ylbenzamide
CID 83016133
N-piperidin-1-yl-2-pyridin-3-ylbenzamide
CID 173109627
2-chloro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide
CID 9271437
2-[2-(piperidin-1-ylcarbamoyl)pyrrol-1-yl]acetic acid
CID 83022515
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid (CID 114199832) is 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid is O=C(O)Cc1ccccc1C(=O)NN1CCCCC1.
What is the InChIKey of 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid?
The InChIKey is PRXQTQIFVZSQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)10-11-6-2-3-7-12(11)14(19)15-16-8-4-1-5-9-16/h2-3,6-7H,1,4-5,8-10H2,(H,15,19)(H,17,18).
What are the key properties of 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid?
2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-1-ylcarbamoyl)phenyl]acetic acid is sourced from PubChem (CID 114199832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).