3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C19H29N3O3 — CID 126942014

IUPAC3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)CC3CCCO3)CC2)cn1
InChIInChI=1S/C19H29N3O3/c1-14(2)17-11-19(24)22(13-20-17)12-15-5-7-21(8-6-15)18(23)10-16-4-3-9-25-16/h11,13-16H,3-10,12H2,1-2H3
InChIKeyKAMPDBGNXOUJKR-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.17
Rot. Bonds5

About 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942014) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942014
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(C(=O)CC3CCCO3)CC2)cn1
InChIInChI=1S/C19H29N3O3/c1-14(2)17-11-19(24)22(13-20-17)12-15-5-7-21(8-6-15)18(23)10-16-4-3-9-25-16/h11,13-16H,3-10,12H2,1-2H3
InChIKeyKAMPDBGNXOUJKR-UHFFFAOYSA-N
XLogP2.17
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941072
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942009
3-[[1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942015
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942346
3-[[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942023
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666
6-propan-2-yl-3-[[1-(quinoline-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942069
3-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126941992
3-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942429
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942387
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942014) is 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(C(=O)CC3CCCO3)CC2)cn1.
What is the InChIKey of 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is KAMPDBGNXOUJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(2)17-11-19(24)22(13-20-17)12-15-5-7-21(8-6-15)18(23)10-16-4-3-9-25-16/h11,13-16H,3-10,12H2,1-2H3.
What are the key properties of 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 347.46 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).