1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C28H36N4O4 — CID 55809921

IUPAC1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OCC(=O)N4C(C)CCCC4C)cc3)CC2)nc1
InChIInChI=1S/C28H36N4O4/c1-19-7-12-25(29-17-19)30-27(34)22-13-15-31(16-14-22)28(35)23-8-10-24(11-9-23)36-18-26(33)32-20(2)5-4-6-21(32)3/h7-12,17,20-22H,4-6,13-16,18H2,1-3H3,(H,29,30,34)
InChIKeyQDKVHJKSJROFFB-UHFFFAOYSA-N
MW492.62 g/mol
LogP4.05
Rot. Bonds6

About 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55809921) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55809921
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC Name1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OCC(=O)N4C(C)CCCC4C)cc3)CC2)nc1
InChIInChI=1S/C28H36N4O4/c1-19-7-12-25(29-17-19)30-27(34)22-13-15-31(16-14-22)28(35)23-8-10-24(11-9-23)36-18-26(33)32-20(2)5-4-6-21(32)3/h7-12,17,20-22H,4-6,13-16,18H2,1-3H3,(H,29,30,34)
InChIKeyQDKVHJKSJROFFB-UHFFFAOYSA-N
XLogP4.05
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931246
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
CID 119560215
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone;hydrochloride
CID 119560214
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
2-[4-(4-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119373285
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenoxy]ethanone
CID 95567886
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
CID 55339075
1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921603
N-(5-bromo-2-pyridinyl)-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 55815564
2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 119377667

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55809921) is 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OCC(=O)N4C(C)CCCC4C)cc3)CC2)nc1.
What is the InChIKey of 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is QDKVHJKSJROFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-19-7-12-25(29-17-19)30-27(34)22-13-15-31(16-14-22)28(35)23-8-10-24(11-9-23)36-18-26(33)32-20(2)5-4-6-21(32)3/h7-12,17,20-22H,4-6,13-16,18H2,1-3H3,(H,29,30,34).
What are the key properties of 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55809921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).