3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

C17H31N3 — CID 102894537

IUPAC3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1CCN(C2CCN(CC3NCC4CCCC43)C2)CC1
InChIInChI=1S/C17H31N3/c1-2-8-20(9-3-1)15-7-10-19(12-15)13-17-16-6-4-5-14(16)11-18-17/h14-18H,1-13H2
InChIKeyORSFCZFIBQPXIM-UHFFFAOYSA-N
MW277.46 g/mol
LogP1.93
Rot. Bonds3

About 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole

3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (PubChem CID 102894537) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
PubChem CID102894537
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
SMILESC1CCN(C2CCN(CC3NCC4CCCC43)C2)CC1
InChIInChI=1S/C17H31N3/c1-2-8-20(9-3-1)15-7-10-19(12-15)13-17-16-6-4-5-14(16)11-18-17/h14-18H,1-13H2
InChIKeyORSFCZFIBQPXIM-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 102894300
1-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-N,N-dimethylpyrrolidin-3-amine
CID 102894533
3-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894714
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-ylmethyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 102894647
3-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 103534890
3-pyrrolidin-1-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 104870181
3-pyrrolidin-1-yl-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 63169586
3-[(4-ethoxypiperidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894327
3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]piperidine
CID 63169624
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870
2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 63169189
3-[(3,3-diethylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 102894651

Frequently Asked Questions

What is the IUPAC name of 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The IUPAC name of 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole (CID 102894537) is 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The canonical SMILES for 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is C1CCN(C2CCN(CC3NCC4CCCC43)C2)CC1.
What is the InChIKey of 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
The InChIKey is ORSFCZFIBQPXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-2-8-20(9-3-1)15-7-10-19(12-15)13-17-16-6-4-5-14(16)11-18-17/h14-18H,1-13H2.
What are the key properties of 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole?
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole has a molecular weight of 277.46 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 102894537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).