1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide

C14H18N2O4 — CID 103892089

IUPAC1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H18N2O4/c1-8-2-3-9(13(15)19)7-16(8)14(20)11-6-10(17)4-5-12(11)18/h4-6,8-9,17-18H,2-3,7H2,1H3,(H2,15,19)
InChIKeyBWWNPRIOUMRESZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.82
Rot. Bonds2

About 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide

1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide (PubChem CID 103892089) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
PubChem CID103892089
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1C(=O)c1cc(O)ccc1O
InChIInChI=1S/C14H18N2O4/c1-8-2-3-9(13(15)19)7-16(8)14(20)11-6-10(17)4-5-12(11)18/h4-6,8-9,17-18H,2-3,7H2,1H3,(H2,15,19)
InChIKeyBWWNPRIOUMRESZ-UHFFFAOYSA-N
XLogP0.82
TPSA103.86 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 ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
CID 107026180
1-(2,5-dihydroxybenzoyl)piperidine-2-carboxamide
CID 107722668
1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47415559
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
(2,5-dihydroxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 107723418
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082
(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103524349
1-(2-hydroxy-5-phenylmethoxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122112894
1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide (CID 103892089) is 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1C(=O)c1cc(O)ccc1O.
What is the InChIKey of 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide?
The InChIKey is BWWNPRIOUMRESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-2-3-9(13(15)19)7-16(8)14(20)11-6-10(17)4-5-12(11)18/h4-6,8-9,17-18H,2-3,7H2,1H3,(H2,15,19).
What are the key properties of 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide?
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103892089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).