5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C16H29N3 — CID 166934308

IUPAC5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCC1CCN(C2CN(C3CC4CNCC4C3)C2)CC1
InChIInChI=1S/C16H29N3/c1-12-2-4-18(5-3-12)16-10-19(11-16)15-6-13-8-17-9-14(13)7-15/h12-17H,2-11H2,1H3
InChIKeyLAPHQSYQOMDPRJ-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.40
Rot. Bonds2

About 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 166934308) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID166934308
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESCC1CCN(C2CN(C3CC4CNCC4C3)C2)CC1
InChIInChI=1S/C16H29N3/c1-12-2-4-18(5-3-12)16-10-19(11-16)15-6-13-8-17-9-14(13)7-15/h12-17H,2-11H2,1H3
InChIKeyLAPHQSYQOMDPRJ-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

Analyze 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole with MolForge

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Related Compounds

1-methyl-4-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]piperidine
CID 169257843
1-azabicyclo[3.1.0]hexane;3-azabicyclo[3.1.0]hexane
CID 87765664
4-(azetidin-3-yl)-1-cyclopropylpiperidine
CID 138111863
4-methyl-1-piperidin-4-ylpiperidine;dihydrochloride
CID 56831594
5-methyl-2-(1-piperidin-4-ylazetidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 170022405
5-methyl-2-(1-piperidin-3-ylpiperidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 166934569
1-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpiperidine
CID 79678003
4-methyl-1-(4-methylsulfanylpyrrolidin-3-yl)piperidine
CID 82759677
2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560129
2,6-difluoro-4-(4-methylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 142184960
3-cyclopropyl-5-methylpiperidine
CID 82594091
4-methyl-1-(1-methylpyrrolidin-3-yl)piperidine
CID 126993329

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 166934308) is 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is CC1CCN(C2CN(C3CC4CNCC4C3)C2)CC1.
What is the InChIKey of 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is LAPHQSYQOMDPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-12-2-4-18(5-3-12)16-10-19(11-16)15-6-13-8-17-9-14(13)7-15/h12-17H,2-11H2,1H3.
What are the key properties of 5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
5-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[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-[3-(4-methylpiperidin-1-yl)azetidin-1-yl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 166934308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).