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

C21H31N5O3 — CID 136795541

IUPAC2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N1CCc2nc(C3CCN(C(=O)CN4CCCC4=O)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H31N5O3/c1-14(2)25-11-7-17-16(12-25)21(29)23-20(22-17)15-5-9-24(10-6-15)19(28)13-26-8-3-4-18(26)27/h14-15H,3-13H2,1-2H3,(H,22,23,29)
InChIKeyXXWHUYINCRNGQW-UHFFFAOYSA-N
MW401.51 g/mol
LogP0.86
Rot. Bonds4

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

2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136795541) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136795541
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)N1CCc2nc(C3CCN(C(=O)CN4CCCC4=O)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C21H31N5O3/c1-14(2)25-11-7-17-16(12-25)21(29)23-20(22-17)15-5-9-24(10-6-15)19(28)13-26-8-3-4-18(26)27/h14-15H,3-13H2,1-2H3,(H,22,23,29)
InChIKeyXXWHUYINCRNGQW-UHFFFAOYSA-N
XLogP0.86
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891278
2-[1-[(2S)-oxolane-2-carbonyl]piperidin-4-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891277
2-[(2R)-1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891180
2-[1-(2-methoxypyridine-4-carbonyl)piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795548
2-[(2R)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891198
6-methyl-2-[1-(2-phenylacetyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795909
(E)-but-2-enedioic acid;1-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]pyrrolidin-2-one
CID 6449218
1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155982454
6-propan-2-yl-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891216
6-butanoyl-2-[1-(2-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795974
2-cyclopropyl-6-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 167892501
6-propan-2-yl-2-[(2R)-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735137

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136795541) is 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CC(C)N1CCc2nc(C3CCN(C(=O)CN4CCCC4=O)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is XXWHUYINCRNGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c1-14(2)25-11-7-17-16(12-25)21(29)23-20(22-17)15-5-9-24(10-6-15)19(28)13-26-8-3-4-18(26)27/h14-15H,3-13H2,1-2H3,(H,22,23,29).
What are the key properties of 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 401.51 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136795541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).