5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

C16H29N3 — CID 170022405

IUPAC5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(C3CN(C4CCNCC4)C3)CC2C1
InChIInChI=1S/C16H29N3/c1-12-6-13-8-18(9-14(13)7-12)16-10-19(11-16)15-2-4-17-5-3-15/h12-17H,2-11H2,1H3
InChIKeyBQKIXIRNPSFUOY-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.40
Rot. Bonds2

About 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole

5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (PubChem CID 170022405) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
PubChem CID170022405
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
SMILESCC1CC2CN(C3CN(C4CCNCC4)C3)CC2C1
InChIInChI=1S/C16H29N3/c1-12-6-13-8-18(9-14(13)7-12)16-10-19(11-16)15-2-4-17-5-3-15/h12-17H,2-11H2,1H3
InChIKeyBQKIXIRNPSFUOY-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The IUPAC name of 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole (CID 170022405) is 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole.
What is the SMILES notation for 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The canonical SMILES for 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is CC1CC2CN(C3CN(C4CCNCC4)C3)CC2C1.
What is the InChIKey of 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
The InChIKey is BQKIXIRNPSFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12-6-13-8-18(9-14(13)7-12)16-10-19(11-16)15-2-4-17-5-3-15/h12-17H,2-11H2,1H3.
What are the key properties of 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole?
5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole has a molecular weight of 263.43 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole is sourced from PubChem (CID 170022405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).