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

C21H32N4O — CID 92609088

IUPAC3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCc2nc(C3CCN(C(=O)CCC4CCCC4)CC3)ncc2C1
InChIInChI=1S/C21H32N4O/c1-24-11-10-19-18(15-24)14-22-21(23-19)17-8-12-25(13-9-17)20(26)7-6-16-4-2-3-5-16/h14,16-17H,2-13,15H2,1H3
InChIKeyMWIFMTRJFPCWKE-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.14
Rot. Bonds4

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

3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 92609088) has the molecular formula C21H32N4O and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
PubChem CID92609088
Molecular FormulaC21H32N4O
Molecular Weight356.51 g/mol
Exact Mass356.26
IUPAC Name3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one
SMILESCN1CCc2nc(C3CCN(C(=O)CCC4CCCC4)CC3)ncc2C1
InChIInChI=1S/C21H32N4O/c1-24-11-10-19-18(15-24)14-22-21(23-19)17-8-12-25(13-9-17)20(26)7-6-16-4-2-3-5-16/h14,16-17H,2-13,15H2,1H3
InChIKeyMWIFMTRJFPCWKE-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one (CID 92609088) is 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is CN1CCc2nc(C3CCN(C(=O)CCC4CCCC4)CC3)ncc2C1.
What is the InChIKey of 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is MWIFMTRJFPCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O/c1-24-11-10-19-18(15-24)14-22-21(23-19)17-8-12-25(13-9-17)20(26)7-6-16-4-2-3-5-16/h14,16-17H,2-13,15H2,1H3.
What are the key properties of 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one?
3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 356.51 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 92609088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).