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

C25H38N4O3 — CID 136676484

IUPAC7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOC1CCC(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)CC1
InChIInChI=1S/C25H38N4O3/c1-32-19-11-9-17(10-12-19)25(31)29-14-5-4-8-22(29)23-26-21-16-28(18-6-2-3-7-18)15-13-20(21)24(30)27-23/h17-19,22H,2-16H2,1H3,(H,26,27,30)/t17?,19?,22-/m0/s1
InChIKeyZQGJHGDYSLBEHP-FQVRHNBASA-N
MW442.60 g/mol
LogP3.33
Rot. Bonds4

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

7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136676484) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136676484
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOC1CCC(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)CC1
InChIInChI=1S/C25H38N4O3/c1-32-19-11-9-17(10-12-19)25(31)29-14-5-4-8-22(29)23-26-21-16-28(18-6-2-3-7-18)15-13-20(21)24(30)27-23/h17-19,22H,2-16H2,1H3,(H,26,27,30)/t17?,19?,22-/m0/s1
InChIKeyZQGJHGDYSLBEHP-FQVRHNBASA-N
XLogP3.33
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-Methoxycyclohexanecarbonyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136253576
2-[(3S)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136676471
2-[(3R)-1-(4-methoxycyclohexanecarbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136676472
7-cyclopentyl-2-[(2R)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676485
7-(cyclopropanecarbonyl)-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676492
7-(cyclopropanecarbonyl)-2-[(2R)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136676493
2-[(2S)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-2-yl]-7-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766611
2-[(2R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-2-yl]-7-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766612
7-cyclopentyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766617
7-cyclopentyl-2-[(3S)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766618
7-cyclohexyl-2-[(3R)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766619
7-cyclohexyl-2-[(3S)-1-(4-methoxycyclohexanecarbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136766620

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136676484) is 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)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-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COC1CCC(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)CC1.
What is the InChIKey of 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZQGJHGDYSLBEHP-FQVRHNBASA-N. The full InChI is InChI=1S/C25H38N4O3/c1-32-19-11-9-17(10-12-19)25(31)29-14-5-4-8-22(29)23-26-21-16-28(18-6-2-3-7-18)15-13-20(21)24(30)27-23/h17-19,22H,2-16H2,1H3,(H,26,27,30)/t17?,19?,22-/m0/s1.
What are the key properties of 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 442.60 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-2-[(2S)-1-(4-methoxycyclohexanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136676484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).