7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one

C17H26N4O — CID 156711705

IUPAC7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)C1=NC(C)C(C)c2nc(N3CCCCC3)[nH]c(=O)c21
InChIInChI=1S/C17H26N4O/c1-10(2)14-13-15(11(3)12(4)18-14)19-17(20-16(13)22)21-8-6-5-7-9-21/h10-12H,5-9H2,1-4H3,(H,19,20,22)
InChIKeyUSIOJACAGDCHSJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.71
Rot. Bonds2

About 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one

7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 156711705) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID156711705
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)C1=NC(C)C(C)c2nc(N3CCCCC3)[nH]c(=O)c21
InChIInChI=1S/C17H26N4O/c1-10(2)14-13-15(11(3)12(4)18-14)19-17(20-16(13)22)21-8-6-5-7-9-21/h10-12H,5-9H2,1-4H3,(H,19,20,22)
InChIKeyUSIOJACAGDCHSJ-UHFFFAOYSA-N
XLogP2.71
TPSA61.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 156711705) is 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one is CC(C)C1=NC(C)C(C)c2nc(N3CCCCC3)[nH]c(=O)c21.
What is the InChIKey of 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is USIOJACAGDCHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-10(2)14-13-15(11(3)12(4)18-14)19-17(20-16(13)22)21-8-6-5-7-9-21/h10-12H,5-9H2,1-4H3,(H,19,20,22).
What are the key properties of 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one?
7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 302.42 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-2-piperidin-1-yl-5-propan-2-yl-7,8-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 156711705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).