3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one

C17H24N4O — CID 39817998

IUPAC3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCCC[C@@H]1CCn1cnc2cnccc2c1=O
InChIInChI=1S/C17H24N4O/c1-13(2)21-9-4-3-5-14(21)7-10-20-12-19-16-11-18-8-6-15(16)17(20)22/h6,8,11-14H,3-5,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyVEHXBTSIYWRKHZ-CQSZACIVSA-N
MW300.41 g/mol
LogP2.44
Rot. Bonds4

About 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one

3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 39817998) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one
PubChem CID39817998
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)N1CCCC[C@@H]1CCn1cnc2cnccc2c1=O
InChIInChI=1S/C17H24N4O/c1-13(2)21-9-4-3-5-14(21)7-10-20-12-19-16-11-18-8-6-15(16)17(20)22/h6,8,11-14H,3-5,7,9-10H2,1-2H3/t14-/m1/s1
InChIKeyVEHXBTSIYWRKHZ-CQSZACIVSA-N
XLogP2.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one (CID 39817998) is 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one is CC(C)N1CCCC[C@@H]1CCn1cnc2cnccc2c1=O.
What is the InChIKey of 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VEHXBTSIYWRKHZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N4O/c1-13(2)21-9-4-3-5-14(21)7-10-20-12-19-16-11-18-8-6-15(16)17(20)22/h6,8,11-14H,3-5,7,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one?
3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-1-propan-2-ylpiperidin-2-yl]ethyl]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 39817998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).