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

C25H32N4O2 — CID 136861055

IUPAC7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)c1
InChIInChI=1S/C25H32N4O2/c1-17-7-6-8-18(15-17)25(31)29-13-5-4-11-22(29)23-26-21-16-28(19-9-2-3-10-19)14-12-20(21)24(30)27-23/h6-8,15,19,22H,2-5,9-14,16H2,1H3,(H,26,27,30)/t22-/m0/s1
InChIKeyOTEIEXNIOOWHHK-QFIPXVFZSA-N
MW420.56 g/mol
LogP3.75
Rot. Bonds3

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

7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136861055) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136861055
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)c1
InChIInChI=1S/C25H32N4O2/c1-17-7-6-8-18(15-17)25(31)29-13-5-4-11-22(29)23-26-21-16-28(19-9-2-3-10-19)14-12-20(21)24(30)27-23/h6-8,15,19,22H,2-5,9-14,16H2,1H3,(H,26,27,30)/t22-/m0/s1
InChIKeyOTEIEXNIOOWHHK-QFIPXVFZSA-N
XLogP3.75
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-cyclohexyl-2-[1-(3-fluorobenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796512
2-[(2R)-1-benzoylpiperidin-2-yl]-7-cyclohexyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681996
7-cyclopentyl-2-[(2R)-1-(3,4-difluorobenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136764100
2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-6-methylsulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136861069
6-cyclohexyl-2-[(2S)-1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860787
7-cyclopentyl-2-[(2R)-1-[2-(4-methylphenyl)acetyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136860873
7-cyclohexyl-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774792
7-cyclohexyl-2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774794
7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136763989
7-cyclohexyl-2-[(2R)-1-[(2S)-2-phenylpropanoyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891650
7-cyclohexyl-2-[(2S)-1-[(2S)-2-phenylpropanoyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891652
7-cyclopentyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796482

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136861055) is 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)c1.
What is the InChIKey of 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is OTEIEXNIOOWHHK-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-17-7-6-8-18(15-17)25(31)29-13-5-4-11-22(29)23-26-21-16-28(19-9-2-3-10-19)14-12-20(21)24(30)27-23/h6-8,15,19,22H,2-5,9-14,16H2,1H3,(H,26,27,30)/t22-/m0/s1.
What are the key properties of 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136861055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).