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

C20H30N4O — CID 92567906

IUPAC3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C20H30N4O/c25-19(6-5-15-3-1-2-4-15)24-11-8-16(9-12-24)20-22-14-17-13-21-10-7-18(17)23-20/h14-16,21H,1-13H2
InChIKeyKIWUMPIMFVZVNW-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.80
Rot. Bonds4

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

3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 92567906) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID92567906
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCC1CCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1
InChIInChI=1S/C20H30N4O/c25-19(6-5-15-3-1-2-4-15)24-11-8-16(9-12-24)20-22-14-17-13-21-10-7-18(17)23-20/h14-16,21H,1-13H2
InChIKeyKIWUMPIMFVZVNW-UHFFFAOYSA-N
XLogP2.80
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (CID 92567906) is 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is O=C(CCC1CCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1.
What is the InChIKey of 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is KIWUMPIMFVZVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c25-19(6-5-15-3-1-2-4-15)24-11-8-16(9-12-24)20-22-14-17-13-21-10-7-18(17)23-20/h14-16,21H,1-13H2.
What are the key properties of 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 342.49 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92567906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).