3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid

C15H18N2O4 — CID 61440069

IUPAC3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
SMILESCNC(=O)C1CCN(C(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)10-5-7-17(8-6-10)14(19)11-3-2-4-12(9-11)15(20)21/h2-4,9-10H,5-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyTYHAZYWOKLMTRN-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.98
Rot. Bonds3

About 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid

3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid (PubChem CID 61440069) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid.

Molecular Properties

Compound Name3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
PubChem CID61440069
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
SMILESCNC(=O)C1CCN(C(=O)c2cccc(C(=O)O)c2)CC1
InChIInChI=1S/C15H18N2O4/c1-16-13(18)10-5-7-17(8-6-10)14(19)11-3-2-4-12(9-11)15(20)21/h2-4,9-10H,5-8H2,1H3,(H,16,18)(H,20,21)
InChIKeyTYHAZYWOKLMTRN-UHFFFAOYSA-N
XLogP0.98
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 110350748
1-[3-(benzenesulfonamido)benzoyl]-N-methylpiperidine-4-carboxamide
CID 20974043
1-[3-(ethylsulfamoyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 43064085
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
3-(4-propan-2-ylpiperidine-1-carbonyl)benzoic acid
CID 103925973
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
1-(3-chloro-4-iodobenzoyl)-N-methylpiperidine-4-carboxamide
CID 103734766
1-(3,4-diethoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 46576371
N-methyl-1-[3-[(2,4,6-trimethylphenyl)sulfonylamino]benzoyl]piperidine-4-carboxamide
CID 20974051
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
ethane;[4-(methylamino)piperidin-1-yl]-phenylmethanone
CID 145194562

Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
The IUPAC name of 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid (CID 61440069) is 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid.
What is the SMILES notation for 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
The canonical SMILES for 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid is CNC(=O)C1CCN(C(=O)c2cccc(C(=O)O)c2)CC1.
What is the InChIKey of 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
The InChIKey is TYHAZYWOKLMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-13(18)10-5-7-17(8-6-10)14(19)11-3-2-4-12(9-11)15(20)21/h2-4,9-10H,5-8H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid?
3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid is sourced from PubChem (CID 61440069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).