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

C21H30N4O3 — CID 136774854

IUPAC2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C21H30N4O3/c1-14(26)25-11-6-5-9-18(25)19-22-17-10-12-24(13-16(17)20(27)23-19)21(28)15-7-3-2-4-8-15/h15,18H,2-13H2,1H3,(H,22,23,27)/t18-/m1/s1
InChIKeyMZJAUTOPMONFII-GOSISDBHSA-N
MW386.50 g/mol
LogP2.31
Rot. Bonds2

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

2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136774854) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136774854
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C21H30N4O3/c1-14(26)25-11-6-5-9-18(25)19-22-17-10-12-24(13-16(17)20(27)23-19)21(28)15-7-3-2-4-8-15/h15,18H,2-13H2,1H3,(H,22,23,27)/t18-/m1/s1
InChIKeyMZJAUTOPMONFII-GOSISDBHSA-N
XLogP2.31
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136774854) is 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(C(=O)C1CCCCC1)CC2.
What is the InChIKey of 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MZJAUTOPMONFII-GOSISDBHSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14(26)25-11-6-5-9-18(25)19-22-17-10-12-24(13-16(17)20(27)23-19)21(28)15-7-3-2-4-8-15/h15,18H,2-13H2,1H3,(H,22,23,27)/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 386.50 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-acetylpiperidin-2-yl]-6-(cyclohexanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136774854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).