3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C22H31N5O — CID 126942453

IUPAC3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC1CCc2nnc(N3CCC(Cn4cnc(C(C)C)cc4=O)CC3)cc2C1
InChIInChI=1S/C22H31N5O/c1-15(2)20-12-22(28)27(14-23-20)13-17-6-8-26(9-7-17)21-11-18-10-16(3)4-5-19(18)24-25-21/h11-12,14-17H,4-10,13H2,1-3H3
InChIKeyASMDBBVZNPZTHU-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.20
Rot. Bonds4

About 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942453) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942453
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC1CCc2nnc(N3CCC(Cn4cnc(C(C)C)cc4=O)CC3)cc2C1
InChIInChI=1S/C22H31N5O/c1-15(2)20-12-22(28)27(14-23-20)13-17-6-8-26(9-7-17)21-11-18-10-16(3)4-5-19(18)24-25-21/h11-12,14-17H,4-10,13H2,1-3H3
InChIKeyASMDBBVZNPZTHU-UHFFFAOYSA-N
XLogP3.20
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

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Related Compounds

6-(difluoromethyl)-3-[[1-(7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944201
6-tert-butyl-2-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126862656
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942387
3-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942171
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941481
6-tert-butyl-3-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944699
2-[4-[(6-oxo-4-propan-2-ylpyrimidin-1-yl)methyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126942389
6-pyridin-4-yl-3-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942875
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
(3R)-1-[(6S)-6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl]pyrrolidin-3-amine
CID 99978361

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942453) is 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC1CCc2nnc(N3CCC(Cn4cnc(C(C)C)cc4=O)CC3)cc2C1.
What is the InChIKey of 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is ASMDBBVZNPZTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-15(2)20-12-22(28)27(14-23-20)13-17-6-8-26(9-7-17)21-11-18-10-16(3)4-5-19(18)24-25-21/h11-12,14-17H,4-10,13H2,1-3H3.
What are the key properties of 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 381.52 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).