1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide

C14H18N2O4 — CID 103956056

IUPAC1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(O)c(O)c2)C1
InChIInChI=1S/C14H18N2O4/c1-15-13(19)10-3-2-6-16(8-10)14(20)9-4-5-11(17)12(18)7-9/h4-5,7,10,17-18H,2-3,6,8H2,1H3,(H,15,19)
InChIKeyPDBPKDYSDGOYIV-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.70
Rot. Bonds2

About 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide

1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103956056) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
PubChem CID103956056
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)c2ccc(O)c(O)c2)C1
InChIInChI=1S/C14H18N2O4/c1-15-13(19)10-3-2-6-16(8-10)14(20)9-4-5-11(17)12(18)7-9/h4-5,7,10,17-18H,2-3,6,8H2,1H3,(H,15,19)
InChIKeyPDBPKDYSDGOYIV-UHFFFAOYSA-N
XLogP0.70
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103875344
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
1-(3,4-dihydroxybenzoyl)piperidine-3-carboxylic acid
CID 107727974
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-bromo-3-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103854325
N-methyl-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 110258723
1-(3-amino-4-methoxybenzoyl)-N-methylpiperidine-3-carboxamide
CID 103194101
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
1-[3-(carbamoylamino)benzoyl]-N-methylpiperidine-3-carboxamide
CID 119128282
1-(4-fluoro-2-methylbenzoyl)-N-methylpiperidine-3-carboxamide
CID 103820449

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide (CID 103956056) is 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)c2ccc(O)c(O)c2)C1.
What is the InChIKey of 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is PDBPKDYSDGOYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-15-13(19)10-3-2-6-16(8-10)14(20)9-4-5-11(17)12(18)7-9/h4-5,7,10,17-18H,2-3,6,8H2,1H3,(H,15,19).
What are the key properties of 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide?
1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxybenzoyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103956056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).