(3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C17H28N4O2 — CID 136588112

IUPAC(3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCN1C[C@@H]2CN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1
InChIInChI=1S/C17H28N4O2/c1-19-8-13-10-21(11-14(13)9-19)17(23)18-15-4-6-20(7-5-15)16(22)12-2-3-12/h12-15H,2-11H2,1H3,(H,18,23)/t13-,14+
InChIKeyOUZIZQUGGCVJSM-OKILXGFUSA-N
MW320.44 g/mol
LogP0.59
Rot. Bonds2

About (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

(3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 136588112) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID136588112
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name(3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCN1C[C@@H]2CN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1
InChIInChI=1S/C17H28N4O2/c1-19-8-13-10-21(11-14(13)9-19)17(23)18-15-4-6-20(7-5-15)16(22)12-2-3-12/h12-15H,2-11H2,1H3,(H,18,23)/t13-,14+
InChIKeyOUZIZQUGGCVJSM-OKILXGFUSA-N
XLogP0.59
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide with MolForge

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Related Compounds

cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
N-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 18723341
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185224
(3R)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenylpyrrolidine-1-carboxamide
CID 95592066
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 110871493
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]pentanamide
CID 43711915
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]propanamide
CID 110871450
(2S)-2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 61179355
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-cyclopropylpropanamide
CID 60865947

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 136588112) is (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CN1C[C@@H]2CN(C(=O)NC3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1.
What is the InChIKey of (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is OUZIZQUGGCVJSM-OKILXGFUSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-19-8-13-10-21(11-14(13)9-19)17(23)18-15-4-6-20(7-5-15)16(22)12-2-3-12/h12-15H,2-11H2,1H3,(H,18,23)/t13-,14+.
What are the key properties of (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
(3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 136588112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).