1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide

C14H18N2O4 — CID 79673840

IUPAC1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2C(N)=O)cc1O
InChIInChI=1S/C14H18N2O4/c1-20-12-6-5-9(8-11(12)17)14(19)16-7-3-2-4-10(16)13(15)18/h5-6,8,10,17H,2-4,7H2,1H3,(H2,15,18)
InChIKeyUMCDCCIKCNXHIE-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.88
Rot. Bonds3

About 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide

1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide (PubChem CID 79673840) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
PubChem CID79673840
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide
SMILESCOc1ccc(C(=O)N2CCCCC2C(N)=O)cc1O
InChIInChI=1S/C14H18N2O4/c1-20-12-6-5-9(8-11(12)17)14(19)16-7-3-2-4-10(16)13(15)18/h5-6,8,10,17H,2-4,7H2,1H3,(H2,15,18)
InChIKeyUMCDCCIKCNXHIE-UHFFFAOYSA-N
XLogP0.88
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
4-(3-hydroxy-4-methoxybenzoyl)morpholine-3-carboxamide
CID 83095785
1-(3-bromo-4-methoxybenzoyl)-N'-hydroxypiperidine-2-carboximidamide
CID 77041871
(2S)-1-(4-methoxybenzoyl)pyrrolidine-2-carboxamide
CID 110867482
(3-hydroxy-4-methoxyphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79726071
(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
(2S)-1-[4-(4-methoxyphenoxy)benzoyl]pyrrolidine-2-carboxamide
CID 46986685
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850
1-(4-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 43212216
(2S)-1-(3-ethoxy-4-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 61137975
1-(1H-indole-5-carbonyl)piperidine-2-carboxamide
CID 63719368
methyl (2R)-1-(4-hydroxy-3-methylbenzoyl)piperidine-2-carboxylate
CID 103957429

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide?
The IUPAC name of 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide (CID 79673840) is 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide is COc1ccc(C(=O)N2CCCCC2C(N)=O)cc1O.
What is the InChIKey of 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide?
The InChIKey is UMCDCCIKCNXHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-12-6-5-9(8-11(12)17)14(19)16-7-3-2-4-10(16)13(15)18/h5-6,8,10,17H,2-4,7H2,1H3,(H2,15,18).
What are the key properties of 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide?
1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methoxybenzoyl)piperidine-2-carboxamide is sourced from PubChem (CID 79673840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).