6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C23H25N5O3 — CID 126942967

IUPAC6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1onc2c1CCCC2)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C23H25N5O3/c29-21-12-20(17-4-3-9-24-13-17)25-15-28(21)14-16-7-10-27(11-8-16)23(30)22-18-5-1-2-6-19(18)26-31-22/h3-4,9,12-13,15-16H,1-2,5-8,10-11,14H2
InChIKeyBNNCNTUVSBSDSW-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.72
Rot. Bonds4

About 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126942967) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126942967
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(c1onc2c1CCCC2)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1
InChIInChI=1S/C23H25N5O3/c29-21-12-20(17-4-3-9-24-13-17)25-15-28(21)14-16-7-10-27(11-8-16)23(30)22-18-5-1-2-6-19(18)26-31-22/h3-4,9,12-13,15-16H,1-2,5-8,10-11,14H2
InChIKeyBNNCNTUVSBSDSW-UHFFFAOYSA-N
XLogP2.72
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942974
3-[[1-(indolizine-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942955
6-pyridin-3-yl-3-[[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942922
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
3-[[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942957
3-[[1-(3,4-dihydro-2H-chromene-2-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942963
3-[[1-(azepan-1-ylsulfonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943090
3-[[1-(3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942971
1-[2-[4-[(6-oxo-4-pyridin-3-ylpyrimidin-1-yl)methyl]piperidin-1-yl]ethyl]azepan-2-one
CID 126943221
6-pyridin-3-yl-3-[[1-[2-(triazol-2-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943101
3-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943042
3-[[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943304

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126942967) is 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C(c1onc2c1CCCC2)N1CCC(Cn2cnc(-c3cccnc3)cc2=O)CC1.
What is the InChIKey of 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is BNNCNTUVSBSDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-21-12-20(17-4-3-9-24-13-17)25-15-28(21)14-16-7-10-27(11-8-16)23(30)22-18-5-1-2-6-19(18)26-31-22/h3-4,9,12-13,15-16H,1-2,5-8,10-11,14H2.
What are the key properties of 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 419.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3-[[1-(4,5,6,7-tetrahydro-2,1-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126942967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).