2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid

C14H18N2O3 — CID 65350284

IUPAC2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H18N2O3/c17-13(18)9-10-4-3-5-11(8-10)16-14(19)12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyCUIBGCQQYKSXHE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.39
Rot. Bonds4

About 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid

2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid (PubChem CID 65350284) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
PubChem CID65350284
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H18N2O3/c17-13(18)9-10-4-3-5-11(8-10)16-14(19)12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,19)(H,17,18)
InChIKeyCUIBGCQQYKSXHE-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(hydroxymethyl)phenyl]azepane-2-carboxamide
CID 64561657
(2R)-N-[3-(methoxymethyl)phenyl]piperidine-2-carboxamide
CID 103808988
N-[3-(benzylsulfinylmethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119327157
N-[3-(methylsulfinylmethyl)phenyl]piperidine-2-carboxamide
CID 119327470
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
(2S)-N-[3-(methoxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119288736
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid (CID 65350284) is 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)C2CCCCN2)c1.
What is the InChIKey of 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid?
The InChIKey is CUIBGCQQYKSXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(18)9-10-4-3-5-11(8-10)16-14(19)12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,19)(H,17,18).
What are the key properties of 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid?
2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(piperidine-2-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 65350284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).