3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one

C21H31N3O3 — CID 56753563

IUPAC3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(NC3CCOCC3)nc2)C1
InChIInChI=1S/C21H31N3O3/c1-15(2)12-19(25)17-4-3-9-24(14-17)21(26)16-5-6-20(22-13-16)23-18-7-10-27-11-8-18/h5-6,13,15,17-18H,3-4,7-12,14H2,1-2H3,(H,22,23)
InChIKeyAWXBPJRGSRZHHW-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.14
Rot. Bonds6

About 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one

3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one (PubChem CID 56753563) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
PubChem CID56753563
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
SMILESCC(C)CC(=O)C1CCCN(C(=O)c2ccc(NC3CCOCC3)nc2)C1
InChIInChI=1S/C21H31N3O3/c1-15(2)12-19(25)17-4-3-9-24(14-17)21(26)16-5-6-20(22-13-16)23-18-7-10-27-11-8-18/h5-6,13,15,17-18H,3-4,7-12,14H2,1-2H3,(H,22,23)
InChIKeyAWXBPJRGSRZHHW-UHFFFAOYSA-N
XLogP3.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one with MolForge

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Related Compounds

1-[(3S)-1-[6-(dicyclopropylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95215289
1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350
3-[[5-[(3R)-3-(3-methylbutanoyl)piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
CID 95208606
1-[1-[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738466
1-[(3S)-1-[6-(furan-3-ylmethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95557038
1-[1-[6-[(1-ethylcyclopropyl)methylamino]pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56759098
3-methyl-1-[(3S)-1-(6-pyrrolidin-1-ylpyridine-3-carbonyl)piperidin-3-yl]butan-1-one
CID 95194229
3-methyl-1-[1-[6-(2-pyridin-4-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56755608
3-methyl-1-[1-[6-(2-pyridin-3-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56759049
3-methyl-1-[(3S)-1-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 95206981
1-[1-[6-(2-fluorophenyl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 56738190
1-[(3S)-1-[6-(4-hydroxypiperidin-1-yl)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95211661

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one (CID 56753563) is 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one is CC(C)CC(=O)C1CCCN(C(=O)c2ccc(NC3CCOCC3)nc2)C1.
What is the InChIKey of 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one?
The InChIKey is AWXBPJRGSRZHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15(2)12-19(25)17-4-3-9-24(14-17)21(26)16-5-6-20(22-13-16)23-18-7-10-27-11-8-18/h5-6,13,15,17-18H,3-4,7-12,14H2,1-2H3,(H,22,23).
What are the key properties of 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one?
3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one has a molecular weight of 373.50 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[6-(oxan-4-ylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one is sourced from PubChem (CID 56753563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).