4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one

C15H25N3O2 — CID 102893373

IUPAC4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)C2NCC3CCCC32)C(C)(C)C1=O
InChIInChI=1S/C15H25N3O2/c1-15(2)14(20)17(3)7-8-18(15)13(19)12-11-6-4-5-10(11)9-16-12/h10-12,16H,4-9H2,1-3H3
InChIKeySDOUFPIKIFNBNK-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.45
Rot. Bonds1

About 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one

4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one (PubChem CID 102893373) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one
PubChem CID102893373
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one
SMILESCN1CCN(C(=O)C2NCC3CCCC32)C(C)(C)C1=O
InChIInChI=1S/C15H25N3O2/c1-15(2)14(20)17(3)7-8-18(15)13(19)12-11-6-4-5-10(11)9-16-12/h10-12,16H,4-9H2,1-3H3
InChIKeySDOUFPIKIFNBNK-UHFFFAOYSA-N
XLogP0.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one?
The IUPAC name of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one (CID 102893373) is 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one.
What is the SMILES notation for 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one?
The canonical SMILES for 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one is CN1CCN(C(=O)C2NCC3CCCC32)C(C)(C)C1=O.
What is the InChIKey of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one?
The InChIKey is SDOUFPIKIFNBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2)14(20)17(3)7-8-18(15)13(19)12-11-6-4-5-10(11)9-16-12/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one?
4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one has a molecular weight of 279.38 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)-1,3,3-trimethylpiperazin-2-one is sourced from PubChem (CID 102893373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).