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

C17H25N5O — CID 56748729

IUPAC1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCN(c2ncnc3c2CCNC3)C1
InChIInChI=1S/C17H25N5O/c23-16-4-2-7-21(16)10-13-3-1-8-22(11-13)17-14-5-6-18-9-15(14)19-12-20-17/h12-13,18H,1-11H2
InChIKeyYPLHFSQMMKOJDR-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.96
Rot. Bonds3

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

1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 56748729) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID56748729
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CCCN(c2ncnc3c2CCNC3)C1
InChIInChI=1S/C17H25N5O/c23-16-4-2-7-21(16)10-13-3-1-8-22(11-13)17-14-5-6-18-9-15(14)19-12-20-17/h12-13,18H,1-11H2
InChIKeyYPLHFSQMMKOJDR-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one (CID 56748729) is 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CCCN(c2ncnc3c2CCNC3)C1.
What is the InChIKey of 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is YPLHFSQMMKOJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c23-16-4-2-7-21(16)10-13-3-1-8-22(11-13)17-14-5-6-18-9-15(14)19-12-20-17/h12-13,18H,1-11H2.
What are the key properties of 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 56748729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).