2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid

C14H18N2O3 — CID 43473268

IUPAC2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
SMILESNC(=O)C1CCCN(Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c15-13(17)11-5-3-7-16(9-11)8-10-4-1-2-6-12(10)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)(H,18,19)
InChIKeyAWODTBSDZVEXNP-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.08
Rot. Bonds4

About 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid

2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 43473268) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
PubChem CID43473268
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
SMILESNC(=O)C1CCCN(Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c15-13(17)11-5-3-7-16(9-11)8-10-4-1-2-6-12(10)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)(H,18,19)
InChIKeyAWODTBSDZVEXNP-UHFFFAOYSA-N
XLogP1.08
TPSA83.63 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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-carbamothioylphenyl)methyl]piperidine-3-carboxamide
CID 24701330
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
1-[(2-methylsulfanylphenyl)methyl]piperidine-3-carboxamide
CID 66899395
2-amino-6-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid
CID 104824237
(3S)-1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 26458106
1-[(2,3-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770544
(3R)-1-[[2-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 95155016
2-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]benzoic acid
CID 56703546
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
1-[[2-[[2-(2-chlorophenyl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 47090669

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid (CID 43473268) is 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid is NC(=O)C1CCCN(Cc2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid?
The InChIKey is AWODTBSDZVEXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-13(17)11-5-3-7-16(9-11)8-10-4-1-2-6-12(10)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H2,15,17)(H,18,19).
What are the key properties of 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid?
2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 43473268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).