1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H21Cl2N3O3 — CID 55958705

IUPAC1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1c(Cl)cc(C(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1Cl
InChIInChI=1S/C20H21Cl2N3O3/c1-12-5-3-7-23-18(12)24-19(26)13-6-4-8-25(11-13)20(27)14-9-15(21)17(28-2)16(22)10-14/h3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,23,24,26)
InChIKeyDMUWGKODSQFCCR-UHFFFAOYSA-N
MW422.31 g/mol
LogP4.20
Rot. Bonds4

About 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide

1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55958705) has the molecular formula C20H21Cl2N3O3 and a molecular weight of 422.31 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55958705
Molecular FormulaC20H21Cl2N3O3
Molecular Weight422.31 g/mol
Exact Mass421.10
IUPAC Name1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCOc1c(Cl)cc(C(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1Cl
InChIInChI=1S/C20H21Cl2N3O3/c1-12-5-3-7-23-18(12)24-19(26)13-6-4-8-25(11-13)20(27)14-9-15(21)17(28-2)16(22)10-14/h3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,23,24,26)
InChIKeyDMUWGKODSQFCCR-UHFFFAOYSA-N
XLogP4.20
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloropyridine-4-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895416
1-(2,4-dichloro-5-fluorobenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 60531808
1-[2-chloro-5-(2,5-dimethylpyrrol-1-yl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896427
1-N-cyclooctyl-3-N-(3-methyl-2-pyridinyl)piperidine-1,3-dicarboxamide
CID 71889679
N-(3-methyl-2-pyridinyl)-1-(2,3,4,5-tetrafluorobenzoyl)piperidine-3-carboxamide
CID 71939394
1-[4-(2-methoxyethylsulfamoyl)benzoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55959090
(3R)-1-(1-methylindole-3-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 52514561
1-(1-methylindole-2-carbonyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896436
3,5-dichloro-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 17440573
1-[3-(2,5-dichlorophenyl)prop-2-enoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55895665
1-[2-(2,5-dichlorophenyl)sulfanylpropanoyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55896307
ethyl (3S)-1-(3,5-dichloro-4-methoxybenzoyl)piperidine-3-carboxylate
CID 52510977

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55958705) is 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is COc1c(Cl)cc(C(=O)N2CCCC(C(=O)Nc3ncccc3C)C2)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is DMUWGKODSQFCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O3/c1-12-5-3-7-23-18(12)24-19(26)13-6-4-8-25(11-13)20(27)14-9-15(21)17(28-2)16(22)10-14/h3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,23,24,26).
What are the key properties of 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 422.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methoxybenzoyl)-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55958705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).