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

C14H24N2O — CID 113335731

IUPAC3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone
SMILESCC1CCC(C(=O)N2CC3CCCC3C2)CN1
InChIInChI=1S/C14H24N2O/c1-10-5-6-11(7-15-10)14(17)16-8-12-3-2-4-13(12)9-16/h10-13,15H,2-9H2,1H3
InChIKeyLETBYKMBBRYQQT-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds1

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

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone (PubChem CID 113335731) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone
PubChem CID113335731
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone
SMILESCC1CCC(C(=O)N2CC3CCCC3C2)CN1
InChIInChI=1S/C14H24N2O/c1-10-5-6-11(7-15-10)14(17)16-8-12-3-2-4-13(12)9-16/h10-13,15H,2-9H2,1H3
InChIKeyLETBYKMBBRYQQT-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
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-(6-methylpiperidin-3-yl)methanone?
The IUPAC name of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone (CID 113335731) is 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone.
What is the SMILES notation for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone?
The canonical SMILES for 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone is CC1CCC(C(=O)N2CC3CCCC3C2)CN1.
What is the InChIKey of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone?
The InChIKey is LETBYKMBBRYQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10-5-6-11(7-15-10)14(17)16-8-12-3-2-4-13(12)9-16/h10-13,15H,2-9H2,1H3.
What are the key properties of 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone?
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone has a molecular weight of 236.36 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 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-(6-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 113335731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).