3-[(piperidine-2-carbonylamino)methyl]benzoic acid

C14H18N2O3 — CID 61161692

IUPAC3-[(piperidine-2-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H18N2O3/c17-13(12-6-1-2-7-15-12)16-9-10-4-3-5-11(8-10)14(18)19/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyVITVMMULWCWRIX-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.14
Rot. Bonds4

About 3-[(piperidine-2-carbonylamino)methyl]benzoic acid

3-[(piperidine-2-carbonylamino)methyl]benzoic acid (PubChem CID 61161692) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(piperidine-2-carbonylamino)methyl]benzoic acid.

Molecular Properties

Compound Name3-[(piperidine-2-carbonylamino)methyl]benzoic acid
PubChem CID61161692
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(piperidine-2-carbonylamino)methyl]benzoic acid
SMILESO=C(O)c1cccc(CNC(=O)C2CCCCN2)c1
InChIInChI=1S/C14H18N2O3/c17-13(12-6-1-2-7-15-12)16-9-10-4-3-5-11(8-10)14(18)19/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyVITVMMULWCWRIX-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119287429
(2S)-N-[(3-carbamoylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119719925
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
N-[[3-(diethylaminomethyl)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119847432
N-[[3-(propylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119287366
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
N-[[3-(phenylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119286438

Frequently Asked Questions

What is the IUPAC name of 3-[(piperidine-2-carbonylamino)methyl]benzoic acid?
The IUPAC name of 3-[(piperidine-2-carbonylamino)methyl]benzoic acid (CID 61161692) is 3-[(piperidine-2-carbonylamino)methyl]benzoic acid.
What is the SMILES notation for 3-[(piperidine-2-carbonylamino)methyl]benzoic acid?
The canonical SMILES for 3-[(piperidine-2-carbonylamino)methyl]benzoic acid is O=C(O)c1cccc(CNC(=O)C2CCCCN2)c1.
What is the InChIKey of 3-[(piperidine-2-carbonylamino)methyl]benzoic acid?
The InChIKey is VITVMMULWCWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(12-6-1-2-7-15-12)16-9-10-4-3-5-11(8-10)14(18)19/h3-5,8,12,15H,1-2,6-7,9H2,(H,16,17)(H,18,19).
What are the key properties of 3-[(piperidine-2-carbonylamino)methyl]benzoic acid?
3-[(piperidine-2-carbonylamino)methyl]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(piperidine-2-carbonylamino)methyl]benzoic acid is sourced from PubChem (CID 61161692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).