1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

C14H24N2O2 — CID 91921283

IUPAC1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C14H24N2O2/c1-3-14(18)16-9-6-13(10-16)12-4-7-15(8-5-12)11(2)17/h12-13H,3-10H2,1-2H3
InChIKeyLJIZKKSSCGYFLY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.50
Rot. Bonds2

About 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one

1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 91921283) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID91921283
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(C2CCN(C(C)=O)CC2)C1
InChIInChI=1S/C14H24N2O2/c1-3-14(18)16-9-6-13(10-16)12-4-7-15(8-5-12)11(2)17/h12-13H,3-10H2,1-2H3
InChIKeyLJIZKKSSCGYFLY-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one (CID 91921283) is 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(C2CCN(C(C)=O)CC2)C1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is LJIZKKSSCGYFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-14(18)16-9-6-13(10-16)12-4-7-15(8-5-12)11(2)17/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one?
1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 252.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 91921283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).