1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide

C15H21N3O3 — CID 119053091

IUPAC1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(C)c1NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-7-12(21-2)13(10)17-15(20)18-8-4-6-11(9-18)14(16)19/h3,5,7,11H,4,6,8-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyIDJFWYVJMWCYTE-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.73
Rot. Bonds3

About 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide

1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 119053091) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID119053091
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1cccc(C)c1NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C15H21N3O3/c1-10-5-3-7-12(21-2)13(10)17-15(20)18-8-4-6-11(9-18)14(16)19/h3,5,7,11H,4,6,8-9H2,1-2H3,(H2,16,19)(H,17,20)
InChIKeyIDJFWYVJMWCYTE-UHFFFAOYSA-N
XLogP1.73
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
N-(2-methoxy-6-methylphenyl)-3-(methylsulfamoylmethyl)piperidine-1-carboxamide
CID 154765435
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 124628067
[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 9228589
N-[2-(aminomethyl)-6-methoxyphenyl]azepane-1-carboxamide
CID 107467309
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
(3S)-1-N-[4-(3-methoxyphenyl)phenyl]piperidine-1,3-dicarboxamide
CID 97274473
N-(2-carbamimidoyl-6-methoxyphenyl)-3-methylpiperidine-1-carboxamide
CID 107469923
(3S)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]piperidine-3-carboxamide
CID 8793721
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide (CID 119053091) is 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide is COc1cccc(C)c1NC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is IDJFWYVJMWCYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-5-3-7-12(21-2)13(10)17-15(20)18-8-4-6-11(9-18)14(16)19/h3,5,7,11H,4,6,8-9H2,1-2H3,(H2,16,19)(H,17,20).
What are the key properties of 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide?
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 119053091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).