3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone

C13H23N3O — CID 121184113

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CC3CCCC3C2)CC1
InChIInChI=1S/C13H23N3O/c1-14-5-7-15(8-6-14)13(17)16-9-11-3-2-4-12(11)10-16/h11-12H,2-10H2,1H3
InChIKeyBVNPZVJOSIXMLV-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.09
Rot. Bonds

About 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone (PubChem CID 121184113) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone
PubChem CID121184113
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CC3CCCC3C2)CC1
InChIInChI=1S/C13H23N3O/c1-14-5-7-15(8-6-14)13(17)16-9-11-3-2-4-12(11)10-16/h11-12H,2-10H2,1H3
InChIKeyBVNPZVJOSIXMLV-UHFFFAOYSA-N
XLogP1.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone (CID 121184113) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CC3CCCC3C2)CC1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BVNPZVJOSIXMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-5-7-15(8-6-14)13(17)16-9-11-3-2-4-12(11)10-16/h11-12H,2-10H2,1H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone has a molecular weight of 237.35 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 121184113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).