3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H21N5O2 — CID 103483835

IUPAC3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCN(C(=O)Cn2cnc3c(c2=O)CCNC3)CC1
InChIInChI=1S/C14H21N5O2/c1-17-4-6-18(7-5-17)13(20)9-19-10-16-12-8-15-3-2-11(12)14(19)21/h10,15H,2-9H2,1H3
InChIKeyCJELALWIDUGISM-UHFFFAOYSA-N
MW291.35 g/mol
LogP-1.34
Rot. Bonds2

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

3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483835) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483835
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCN1CCN(C(=O)Cn2cnc3c(c2=O)CCNC3)CC1
InChIInChI=1S/C14H21N5O2/c1-17-4-6-18(7-5-17)13(20)9-19-10-16-12-8-15-3-2-11(12)14(19)21/h10,15H,2-9H2,1H3
InChIKeyCJELALWIDUGISM-UHFFFAOYSA-N
XLogP-1.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
CID 103483635
3-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483592
1-(4-methylpiperazin-1-yl)-2-(4,5,6,7-tetrachlorobenzimidazol-1-yl)ethanone
CID 71483305
3-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483907
3-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483787
3-(3-phenoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483596
3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483663
3-(2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483909
3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83670995
3-(2-oxo-2-piperazin-1-ylethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39161643
3-[(3-bromophenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483539
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60634910

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483835) is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CN1CCN(C(=O)Cn2cnc3c(c2=O)CCNC3)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CJELALWIDUGISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-17-4-6-18(7-5-17)13(20)9-19-10-16-12-8-15-3-2-11(12)14(19)21/h10,15H,2-9H2,1H3.
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 291.35 g/mol, XLogP of -1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).