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

C23H30N4O2 — CID 136796458

IUPAC2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(C(=O)N2CCCCC2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)cc1
InChIInChI=1S/C23H30N4O2/c1-15(2)26-13-11-18-19(14-26)24-21(25-22(18)28)20-6-4-5-12-27(20)23(29)17-9-7-16(3)8-10-17/h7-10,15,20H,4-6,11-14H2,1-3H3,(H,24,25,28)
InChIKeyGMCAMMSESUWYFU-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.21
Rot. Bonds3

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

2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136796458) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136796458
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1ccc(C(=O)N2CCCCC2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)cc1
InChIInChI=1S/C23H30N4O2/c1-15(2)26-13-11-18-19(14-26)24-21(25-22(18)28)20-6-4-5-12-27(20)23(29)17-9-7-16(3)8-10-17/h7-10,15,20H,4-6,11-14H2,1-3H3,(H,24,25,28)
InChIKeyGMCAMMSESUWYFU-UHFFFAOYSA-N
XLogP3.21
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136861029
2-[(2R)-1-(4-methylbenzoyl)piperidin-2-yl]-7-(thiophen-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136860774
6-(cyclopentanecarbonyl)-2-[1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796357
6-cyclohexyl-2-[(2S)-1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860787
2-[(2S)-1-[(2S)-2-cyclopentyl-2-phenylacetyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090401
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136860929
2-[(2R)-1-(5-fluoro-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891262
7-(cyclopropanecarbonyl)-2-[(2R)-1-[(2S)-2-(4-methylphenyl)propanoyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136860827
2-[(2S)-1-(1-phenylcyclopentanecarbonyl)pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891253
2-[1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795722
7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136861055
2-[(2R)-1-benzoylpiperidin-2-yl]-7-cyclohexyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681996

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136796458) is 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1ccc(C(=O)N2CCCCC2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)cc1.
What is the InChIKey of 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is GMCAMMSESUWYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-15(2)26-13-11-18-19(14-26)24-21(25-22(18)28)20-6-4-5-12-27(20)23(29)17-9-7-16(3)8-10-17/h7-10,15,20H,4-6,11-14H2,1-3H3,(H,24,25,28).
What are the key properties of 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 394.52 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136796458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).