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

C21H28N4O3 — CID 136774817

IUPAC2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H28N4O3/c26-19-15-12-24(20(27)14-7-8-14)11-9-16(15)22-18(23-19)17-6-1-2-10-25(17)21(28)13-4-3-5-13/h13-14,17H,1-12H2,(H,22,23,26)/t17-/m1/s1
InChIKeyOGNAJXPJQZFWMJ-QGZVFWFLSA-N
MW384.48 g/mol
LogP1.92
Rot. Bonds3

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

2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136774817) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136774817
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H28N4O3/c26-19-15-12-24(20(27)14-7-8-14)11-9-16(15)22-18(23-19)17-6-1-2-10-25(17)21(28)13-4-3-5-13/h13-14,17H,1-12H2,(H,22,23,26)/t17-/m1/s1
InChIKeyOGNAJXPJQZFWMJ-QGZVFWFLSA-N
XLogP1.92
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
6-(cyclopentanecarbonyl)-2-[(2S)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774696
2-[(2R)-1-benzoylpiperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136682002
2-[(2R)-1-(3-cyclopentylpropanoyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774717
6-(cyclopropanecarbonyl)-2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681348
6-(cyclopentanecarbonyl)-2-[1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796357
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-6-(2-methoxyacetyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796355
6-(cyclopentanecarbonyl)-2-[1-(2-phenylacetyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796362
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
6-(cyclopropanecarbonyl)-2-[(2S)-1-(2-fluorobenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136681835
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
2-[(2R)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-6-(5-methylthiophene-2-carbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860991

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136774817) is 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=C(C1CC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CCC3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OGNAJXPJQZFWMJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19-15-12-24(20(27)14-7-8-14)11-9-16(15)22-18(23-19)17-6-1-2-10-25(17)21(28)13-4-3-5-13/h13-14,17H,1-12H2,(H,22,23,26)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 384.48 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(cyclobutanecarbonyl)piperidin-2-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136774817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).