7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C17H24N4O4 — CID 136706464

IUPAC7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCN1C[C@@H](C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C17H24N4O4/c1-11-18-14-10-21(6-5-13(14)16(23)19-11)17(24)12-3-4-15(22)20(9-12)7-8-25-2/h12H,3-10H2,1-2H3,(H,18,19,23)/t12-/m0/s1
InChIKeyHJQUAZPQQWZIKM-LBPRGKRZSA-N
MW348.40 g/mol
LogP-0.15
Rot. Bonds4

About 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136706464) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136706464
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCN1C[C@@H](C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C17H24N4O4/c1-11-18-14-10-21(6-5-13(14)16(23)19-11)17(24)12-3-4-15(22)20(9-12)7-8-25-2/h12H,3-10H2,1-2H3,(H,18,19,23)/t12-/m0/s1
InChIKeyHJQUAZPQQWZIKM-LBPRGKRZSA-N
XLogP-0.15
TPSA95.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-{[2-(cyclopropylmethyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(3H)-yl]carbonyl}-1-piperidinecarboxamide
CID 136218514
2-(cyclopropylmethyl)-7-[(1-isopropyl-3-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136244440
2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135990843
2,3-dimethyl-7-[(6-oxopiperidin-3-yl)carbonyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 50975927
2,3-dimethyl-6-{[(3R*,5R*)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72920554
2,3-dimethyl-7-[(3R)-6-oxopiperidine-3-carbonyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 95137400
2,3-dimethyl-7-[(3S)-6-oxopiperidine-3-carbonyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-one
CID 95137401
7-{[1-(2-methoxyethyl)-6-oxopiperidin-3-yl]carbonyl}-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136015722
2-amino-7-[(6-oxo-1-propylpiperidin-3-yl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136147268
5-[2-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136224556
2-(cyclopropylmethyl)-7-[(1-ethyl-3-methyl-3-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136232373
2-(3-{[2-(cyclopropylmethyl)-4-oxo-4,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7(3H)-yl]carbonyl}-1-piperidinyl)acetamide
CID 136247622

Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136706464) is 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COCCN1C[C@@H](C(=O)N2CCc3c(nc(C)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is HJQUAZPQQWZIKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-18-14-10-21(6-5-13(14)16(23)19-11)17(24)12-3-4-15(22)20(9-12)7-8-25-2/h12H,3-10H2,1-2H3,(H,18,19,23)/t12-/m0/s1.
What are the key properties of 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 348.40 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136706464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).