6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C19H29N3O3 — CID 126944242

IUPAC6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(C(=O)C3CCOC3)CC2)cn1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)16-10-17(23)22(13-20-16)11-14-4-7-21(8-5-14)18(24)15-6-9-25-12-15/h10,13-15H,4-9,11-12H2,1-3H3
InChIKeyBDOHNPUICCKERO-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.82
Rot. Bonds3

About 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944242) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944242
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCC(C)(C)c1cc(=O)n(CC2CCN(C(=O)C3CCOC3)CC2)cn1
InChIInChI=1S/C19H29N3O3/c1-19(2,3)16-10-17(23)22(13-20-16)11-14-4-7-21(8-5-14)18(24)15-6-9-25-12-15/h10,13-15H,4-9,11-12H2,1-3H3
InChIKeyBDOHNPUICCKERO-UHFFFAOYSA-N
XLogP1.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butyl-3-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944221
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943354
3-[[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]methyl]-6-tert-butylpyrimidin-4-one
CID 126944215
6-tert-butyl-3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944272
6-tert-butyl-3-[[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944619
2-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126862694
6-tert-butyl-3-[[1-[(1,1-dioxothian-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944581
6-tert-butyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944465
6-tert-butyl-3-[[1-(3-methoxy-2-methylindazole-6-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944296
3-(azetidin-3-ylmethyl)-6-tert-butylpyrimidin-4-one
CID 126857712
3-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943687
6-tert-butyl-3-[[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944433

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944242) is 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is CC(C)(C)c1cc(=O)n(CC2CCN(C(=O)C3CCOC3)CC2)cn1.
What is the InChIKey of 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is BDOHNPUICCKERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-19(2,3)16-10-17(23)22(13-20-16)11-14-4-7-21(8-5-14)18(24)15-6-9-25-12-15/h10,13-15H,4-9,11-12H2,1-3H3.
What are the key properties of 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 347.46 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[[1-(oxolane-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).