2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone

C20H30N4O — CID 92567905

IUPAC2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C20H30N4O/c25-19(12-15-4-2-1-3-5-15)24-10-7-16(8-11-24)20-22-14-17-13-21-9-6-18(17)23-20/h14-16,21H,1-13H2
InChIKeySRSQEVCJZWMZPL-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.80
Rot. Bonds3

About 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone

2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone (PubChem CID 92567905) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
PubChem CID92567905
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C20H30N4O/c25-19(12-15-4-2-1-3-5-15)24-10-7-16(8-11-24)20-22-14-17-13-21-9-6-18(17)23-20/h14-16,21H,1-13H2
InChIKeySRSQEVCJZWMZPL-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone (CID 92567905) is 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone is O=C(CC1CCCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1.
What is the InChIKey of 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
The InChIKey is SRSQEVCJZWMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-19(12-15-4-2-1-3-5-15)24-10-7-16(8-11-24)20-22-14-17-13-21-9-6-18(17)23-20/h14-16,21H,1-13H2.
What are the key properties of 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone?
2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone has a molecular weight of 342.49 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92567905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).