[1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C14H26N2O — CID 883948

IUPAC[1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-12(2)11-15-9-5-13(6-10-15)14(17)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3
InChIKeyAJPXOYYDZHZVDS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.98
Rot. Bonds3

About [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 883948) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID883948
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)CN1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-12(2)11-15-9-5-13(6-10-15)14(17)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3
InChIKeyAJPXOYYDZHZVDS-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 883948) is [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC(C)CN1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AJPXOYYDZHZVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(2)11-15-9-5-13(6-10-15)14(17)16-7-3-4-8-16/h12-13H,3-11H2,1-2H3.
What are the key properties of [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 238.37 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 883948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).