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

C24H34N4O4 — CID 137072632

IUPAC7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCO[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C24H34N4O4/c1-32-17-6-4-5-16(13-17)24(31)28-11-3-2-7-20(28)21-25-19-14-27(23(30)15-8-9-15)12-10-18(19)22(29)26-21/h15-17,20H,2-14H2,1H3,(H,25,26,29)/t16-,17-,20+/m1/s1
InChIKeyKSKKQIUFWYGUNI-HLIPFELVSA-N
MW442.56 g/mol
LogP2.32
Rot. Bonds4

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

7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137072632) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137072632
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCO[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1
InChIInChI=1S/C24H34N4O4/c1-32-17-6-4-5-16(13-17)24(31)28-11-3-2-7-20(28)21-25-19-14-27(23(30)15-8-9-15)12-10-18(19)22(29)26-21/h15-17,20H,2-14H2,1H3,(H,25,26,29)/t16-,17-,20+/m1/s1
InChIKeyKSKKQIUFWYGUNI-HLIPFELVSA-N
XLogP2.32
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[(2R)-1-(cyclopentanecarbonyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774689
7-(cyclobutanecarbonyl)-2-[(3R)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090461
7-(cyclobutanecarbonyl)-2-[(3S)-1-[(1S,3S)-3-methoxycyclohexanecarbonyl]pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136899439
2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774817
2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774715
2-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-7-(cyclopropanecarbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774699
2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7-(pyridine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136682425
2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]-7-ethylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892407
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-(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-[1-(cyclopentanecarbonyl)piperidin-2-yl]-7-ethylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796663

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137072632) is 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CO[C@@H]1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C(=O)C2CC2)C3)C1.
What is the InChIKey of 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is KSKKQIUFWYGUNI-HLIPFELVSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-32-17-6-4-5-16(13-17)24(31)28-11-3-2-7-20(28)21-25-19-14-27(23(30)15-8-9-15)12-10-18(19)22(29)26-21/h15-17,20H,2-14H2,1H3,(H,25,26,29)/t16-,17-,20+/m1/s1.
What are the key properties of 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 442.56 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonyl)-2-[(2S)-1-[(1R,3R)-3-methoxycyclohexanecarbonyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137072632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).