5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide

C12H21N3O2 — CID 59847767

IUPAC5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide
SMILESCNC(=O)CCCCC1CC[C@H]2NC(=O)N[C@@H]12
InChIInChI=1S/C12H21N3O2/c1-13-10(16)5-3-2-4-8-6-7-9-11(8)15-12(17)14-9/h8-9,11H,2-7H2,1H3,(H,13,16)(H2,14,15,17)/t8?,9-,11+/m1/s1
InChIKeyOYBMPKBLWYOJLV-SNZBGZMYSA-N
MW239.32 g/mol
LogP0.75
Rot. Bonds5

About 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide

5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide (PubChem CID 59847767) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide.

Molecular Properties

Compound Name5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide
PubChem CID59847767
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide
SMILESCNC(=O)CCCCC1CC[C@H]2NC(=O)N[C@@H]12
InChIInChI=1S/C12H21N3O2/c1-13-10(16)5-3-2-4-8-6-7-9-11(8)15-12(17)14-9/h8-9,11H,2-7H2,1H3,(H,13,16)(H2,14,15,17)/t8?,9-,11+/m1/s1
InChIKeyOYBMPKBLWYOJLV-SNZBGZMYSA-N
XLogP0.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3aR,4R,6aS)-4-(6-methyl-5-oxononyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-2-one
CID 138644385
6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide
CID 174362490
N'-methyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanehydrazide
CID 23555860
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-tert-butylpentanamide
CID 47337564
N-(dimethoxymethyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 59742679
N-cyclopentyl-5-(2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 42926805
S-amino 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanethioate
CID 118335150
N-butyl-6-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]hexanamide
CID 177242331
N,N'-dimethylheptanediamide
CID 15166696
methyl 5-[(3aR,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
CID 97103871
N-octyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 85258617
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-hexylpentanamide
CID 10520289

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide?
The IUPAC name of 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide (CID 59847767) is 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide.
What is the SMILES notation for 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide?
The canonical SMILES for 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide is CNC(=O)CCCCC1CC[C@H]2NC(=O)N[C@@H]12.
What is the InChIKey of 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide?
The InChIKey is OYBMPKBLWYOJLV-SNZBGZMYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-10(16)5-3-2-4-8-6-7-9-11(8)15-12(17)14-9/h8-9,11H,2-7H2,1H3,(H,13,16)(H2,14,15,17)/t8?,9-,11+/m1/s1.
What are the key properties of 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide?
5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide is sourced from PubChem (CID 59847767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).