2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide

C16H23N5O3 — CID 97138768

IUPAC2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCN(CC(N)=O)C1)C2
InChIInChI=1S/C16H23N5O3/c1-10-18-13-8-21(7-12(13)16(24)19(10)2)15(23)11-4-3-5-20(6-11)9-14(17)22/h11H,3-9H2,1-2H3,(H2,17,22)/t11-/m1/s1
InChIKeyWFKGWOCLFYAWRV-LLVKDONJSA-N
MW333.39 g/mol
LogP-0.87
Rot. Bonds3

About 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide

2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide (PubChem CID 97138768) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
PubChem CID97138768
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCN(CC(N)=O)C1)C2
InChIInChI=1S/C16H23N5O3/c1-10-18-13-8-21(7-12(13)16(24)19(10)2)15(23)11-4-3-5-20(6-11)9-14(17)22/h11H,3-9H2,1-2H3,(H2,17,22)/t11-/m1/s1
InChIKeyWFKGWOCLFYAWRV-LLVKDONJSA-N
XLogP-0.87
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138769
(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
CID 97114683
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439808
6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72873270
2-[(3R)-3-[2-(cyclopropylmethyl)-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carbonyl]piperidin-1-yl]acetamide
CID 136699248
2,3-dimethyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97203694
2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97198512
2-[3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl)piperidin-1-yl]acetamide
CID 169422021
2-[(3R)-3-[(1S,3S,7S,10S,11R)-11-hydroxy-1,12-dimethyl-5,12-diazatricyclo[5.3.1.13,10]dodecane-5-carbonyl]piperidin-1-yl]acetamide
CID 124995477
7-[1-(2-amino-2-oxoethyl)piperidine-3-carbonyl]-N-methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155912376
2-[3-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131943214
2-[3-[3-(1-propan-2-ylimidazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131911944

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide (CID 97138768) is 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide is Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCN(CC(N)=O)C1)C2.
What is the InChIKey of 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is WFKGWOCLFYAWRV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-10-18-13-8-21(7-12(13)16(24)19(10)2)15(23)11-4-3-5-20(6-11)9-14(17)22/h11H,3-9H2,1-2H3,(H2,17,22)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide?
2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 97138768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).