(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide

C15H21N5O3 — CID 97114683

IUPAC(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2
InChIInChI=1S/C15H21N5O3/c1-9-17-12-8-20(7-11(12)14(22)18(9)2)13(21)10-4-3-5-19(6-10)15(16)23/h10H,3-8H2,1-2H3,(H2,16,23)/t10-/m0/s1
InChIKeyGCUDJGNEWTVIEM-JTQLQIEISA-N
MW319.37 g/mol
LogP-0.28
Rot. Bonds1

About (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide

(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide (PubChem CID 97114683) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
PubChem CID97114683
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2
InChIInChI=1S/C15H21N5O3/c1-9-17-12-8-20(7-11(12)14(22)18(9)2)13(21)10-4-3-5-19(6-10)15(16)23/h10H,3-8H2,1-2H3,(H2,16,23)/t10-/m0/s1
InChIKeyGCUDJGNEWTVIEM-JTQLQIEISA-N
XLogP-0.28
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138768
2-[(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138769
6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72873270
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439808
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
3-(4-cyclohexyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 131918987
(3R)-3-[4-(2-amino-6-methylpyrimidin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97112972
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410
3-(4-hydroxy-4-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 80707295
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
(3R)-3-[3-(3,5-dimethylpyrazol-1-yl)azetidine-1-carbonyl]piperidine-1-carboxamide
CID 97122457

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide (CID 97114683) is (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide is Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CCCN(C(N)=O)C1)C2.
What is the InChIKey of (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
The InChIKey is GCUDJGNEWTVIEM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9-17-12-8-20(7-11(12)14(22)18(9)2)13(21)10-4-3-5-19(6-10)15(16)23/h10H,3-8H2,1-2H3,(H2,16,23)/t10-/m0/s1.
What are the key properties of (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide?
(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 97114683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).