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

C14H24N2O — CID 70944514

IUPAC[(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCC1C[C@@H]2CN(C(=O)N3CCCCC3)C[C@@H]2C1
InChIInChI=1S/C14H24N2O/c1-11-7-12-9-16(10-13(12)8-11)14(17)15-5-3-2-4-6-15/h11-13H,2-10H2,1H3/t11?,12-,13+
InChIKeyCJBXTSUCTRHLAM-YHWZYXNKSA-N
MW236.36 g/mol
LogP2.57
Rot. Bonds

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

[(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone (PubChem CID 70944514) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone
PubChem CID70944514
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone
SMILESCC1C[C@@H]2CN(C(=O)N3CCCCC3)C[C@@H]2C1
InChIInChI=1S/C14H24N2O/c1-11-7-12-9-16(10-13(12)8-11)14(17)15-5-3-2-4-6-15/h11-13H,2-10H2,1H3/t11?,12-,13+
InChIKeyCJBXTSUCTRHLAM-YHWZYXNKSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone (CID 70944514) is [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone is CC1C[C@@H]2CN(C(=O)N3CCCCC3)C[C@@H]2C1.
What is the InChIKey of [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone?
The InChIKey is CJBXTSUCTRHLAM-YHWZYXNKSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-7-12-9-16(10-13(12)8-11)14(17)15-5-3-2-4-6-15/h11-13H,2-10H2,1H3/t11?,12-,13+.
What are the key properties of [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone?
[(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone has a molecular weight of 236.36 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70944514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).