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

C13H23N3O — CID 163469693

IUPAC[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2C[C@H]3CCC[C@H]3C2)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/t11-,12+
InChIKeyBVNPZVJOSIXMLV-TXEJJXNPSA-N
MW237.35 g/mol
LogP1.09
Rot. Bonds

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

[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 163469693) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID163469693
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2C[C@H]3CCC[C@H]3C2)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/t11-,12+
InChIKeyBVNPZVJOSIXMLV-TXEJJXNPSA-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 [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 163469693) is [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2C[C@H]3CCC[C@H]3C2)CC1.
What is the InChIKey of [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is BVNPZVJOSIXMLV-TXEJJXNPSA-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/t11-,12+.
What are the key properties of [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone?
[(3aS,6aR)-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 [(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 163469693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).