6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H34N4O2 — CID 136795533

IUPAC6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(C2(C(=O)N3CCC(c4nc5c(c(=O)[nH]4)CN(C)CC5)CC3)CCCC2)cc1
InChIInChI=1S/C26H34N4O2/c1-18-5-7-20(8-6-18)26(12-3-4-13-26)25(32)30-15-9-19(10-16-30)23-27-22-11-14-29(2)17-21(22)24(31)28-23/h5-8,19H,3-4,9-17H2,1-2H3,(H,27,28,31)
InChIKeyVAYIGVRKEUSHNG-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.28
Rot. Bonds3

About 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136795533) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136795533
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccc(C2(C(=O)N3CCC(c4nc5c(c(=O)[nH]4)CN(C)CC5)CC3)CCCC2)cc1
InChIInChI=1S/C26H34N4O2/c1-18-5-7-20(8-6-18)26(12-3-4-13-26)25(32)30-15-9-19(10-16-30)23-27-22-11-14-29(2)17-21(22)24(31)28-23/h5-8,19H,3-4,9-17H2,1-2H3,(H,27,28,31)
InChIKeyVAYIGVRKEUSHNG-UHFFFAOYSA-N
XLogP3.28
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795909
2-[1-(2-fluorobenzoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795630
2-[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-6-(4-methylbenzoyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860792
6-methyl-2-[(3S)-1-(3-phenylpropanoyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869411
2-[(3R)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869436
2-[(3S)-1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869437
5-[1-[1-(4-chlorophenyl)cyclopentanecarbonyl]piperidin-4-yl]-3-[(2,5-dimethylphenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135418144
2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795642
2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869431
2-[(3R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869432
6-(cyclohexylmethyl)-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795689
6-(cyclopentanecarbonyl)-2-[1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796357

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136795533) is 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(C2(C(=O)N3CCC(c4nc5c(c(=O)[nH]4)CN(C)CC5)CC3)CCCC2)cc1.
What is the InChIKey of 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VAYIGVRKEUSHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-18-5-7-20(8-6-18)26(12-3-4-13-26)25(32)30-15-9-19(10-16-30)23-27-22-11-14-29(2)17-21(22)24(31)28-23/h5-8,19H,3-4,9-17H2,1-2H3,(H,27,28,31).
What are the key properties of 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 434.58 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-[1-(4-methylphenyl)cyclopentanecarbonyl]piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136795533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).