6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H36N4O2 — CID 136891771

IUPAC6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)[C@@H]5C[C@@H]5C)C4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C24H36N4O2/c1-15-5-7-18(8-6-15)27-11-9-21-20(14-27)23(29)26-22(25-21)17-4-3-10-28(13-17)24(30)19-12-16(19)2/h15-19H,3-14H2,1-2H3,(H,25,26,29)/t15?,16-,17+,18?,19+/m0/s1
InChIKeyLRJJRJGCDCTXNE-ASGJETJBSA-N
MW412.58 g/mol
LogP3.07
Rot. Bonds3

About 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136891771) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136891771
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)[C@@H]5C[C@@H]5C)C4)[nH]c(=O)c3C2)CC1
InChIInChI=1S/C24H36N4O2/c1-15-5-7-18(8-6-15)27-11-9-21-20(14-27)23(29)26-22(25-21)17-4-3-10-28(13-17)24(30)19-12-16(19)2/h15-19H,3-14H2,1-2H3,(H,25,26,29)/t15?,16-,17+,18?,19+/m0/s1
InChIKeyLRJJRJGCDCTXNE-ASGJETJBSA-N
XLogP3.07
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(4-methylcyclohexyl)-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796146
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796755
6-(4-methylcyclohexyl)-2-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795919
2-[(3S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136899364
6-(2-cyclopentylacetyl)-2-[(2R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891746
7-[(4-methoxyphenyl)methyl]-2-[(3R)-1-[(1S,2S)-2-methylcyclopropanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137036566
2-[(3R)-1-butanoylpiperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892218
2-[(3S)-1-butanoylpiperidin-3-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136892219
2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-6-(4-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860792
6-(4-methylcyclohexyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891810
6-(4-methylcyclohexyl)-2-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891805

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136891771) is 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC1CCC(N2CCc3nc([C@@H]4CCCN(C(=O)[C@@H]5C[C@@H]5C)C4)[nH]c(=O)c3C2)CC1.
What is the InChIKey of 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LRJJRJGCDCTXNE-ASGJETJBSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-15-5-7-18(8-6-15)27-11-9-21-20(14-27)23(29)26-22(25-21)17-4-3-10-28(13-17)24(30)19-12-16(19)2/h15-19H,3-14H2,1-2H3,(H,25,26,29)/t15?,16-,17+,18?,19+/m0/s1.
What are the key properties of 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 412.58 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylcyclohexyl)-2-[(3R)-1-[(1R,2S)-2-methylcyclopropanecarbonyl]piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136891771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).