1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one

C22H28N4O3 — CID 90617112

IUPAC1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)c1=O
InChIInChI=1S/C22H28N4O3/c1-24-12-2-3-20(21(24)27)22(28)26-13-6-17(7-14-26)25-15-8-19(9-16-25)29-18-4-10-23-11-5-18/h2-5,10-12,17,19H,6-9,13-16H2,1H3
InChIKeyCQTXEBXIVFLFNH-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.93
Rot. Bonds4

About 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one

1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 90617112) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID90617112
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one
SMILESCn1cccc(C(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)c1=O
InChIInChI=1S/C22H28N4O3/c1-24-12-2-3-20(21(24)27)22(28)26-13-6-17(7-14-26)25-15-8-19(9-16-25)29-18-4-10-23-11-5-18/h2-5,10-12,17,19H,6-9,13-16H2,1H3
InChIKeyCQTXEBXIVFLFNH-UHFFFAOYSA-N
XLogP1.93
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

methyl 2-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]benzoate
CID 90617337
(2-methylsulfanylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617133
1-methyl-3-[4-(3-methylphenoxy)piperidine-1-carbonyl]pyridin-2-one
CID 70742237
(5-chloro-2-methoxyphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617163
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
3-[4-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 121161190
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 90617379
3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756452
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one (CID 90617112) is 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one is Cn1cccc(C(=O)N2CCC(N3CCC(Oc4ccncc4)CC3)CC2)c1=O.
What is the InChIKey of 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is CQTXEBXIVFLFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-24-12-2-3-20(21(24)27)22(28)26-13-6-17(7-14-26)25-15-8-19(9-16-25)29-18-4-10-23-11-5-18/h2-5,10-12,17,19H,6-9,13-16H2,1H3.
What are the key properties of 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one?
1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 396.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 90617112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).