1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C21H25N3O3 — CID 55930865

IUPAC1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1C(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1
InChIInChI=1S/C21H25N3O3/c1-14-4-5-18(27-3)17(12-14)21(26)24-10-7-16(8-11-24)20(25)23-19-13-15(2)6-9-22-19/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,22,23,25)
InChIKeyQRSPZPVJVGXZCE-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55930865) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55930865
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1C(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1
InChIInChI=1S/C21H25N3O3/c1-14-4-5-18(27-3)17(12-14)21(26)24-10-7-16(8-11-24)20(25)23-19-13-15(2)6-9-22-19/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,22,23,25)
InChIKeyQRSPZPVJVGXZCE-UHFFFAOYSA-N
XLogP3.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
1-[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55813040
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
1-(4-bromo-2,5-dimethylfuran-3-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931766
[4-(bromomethyl)piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 80678390
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931370
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
N-(4-methyl-2-pyridinyl)-1-(3-phenylfuran-2-carbonyl)piperidine-4-carboxamide
CID 55812819
1-[2-(4-bromo-2-fluorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55813073
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55940211

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55930865) is 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is COc1ccc(C)cc1C(=O)N1CCC(C(=O)Nc2cc(C)ccn2)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is QRSPZPVJVGXZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-4-5-18(27-3)17(12-14)21(26)24-10-7-16(8-11-24)20(25)23-19-13-15(2)6-9-22-19/h4-6,9,12-13,16H,7-8,10-11H2,1-3H3,(H,22,23,25).
What are the key properties of 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55930865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).