1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone

C13H24N2O — CID 60974700

IUPAC1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
SMILESCCC1CCCN1C(=O)CC1CCNCC1
InChIInChI=1S/C13H24N2O/c1-2-12-4-3-9-15(12)13(16)10-11-5-7-14-8-6-11/h11-12,14H,2-10H2,1H3
InChIKeyAIYUOZMLRBLVMB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds3

About 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone

1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone (PubChem CID 60974700) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
PubChem CID60974700
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
SMILESCCC1CCCN1C(=O)CC1CCNCC1
InChIInChI=1S/C13H24N2O/c1-2-12-4-3-9-15(12)13(16)10-11-5-7-14-8-6-11/h11-12,14H,2-10H2,1H3
InChIKeyAIYUOZMLRBLVMB-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone (CID 60974700) is 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone is CCC1CCCN1C(=O)CC1CCNCC1.
What is the InChIKey of 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
The InChIKey is AIYUOZMLRBLVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12-4-3-9-15(12)13(16)10-11-5-7-14-8-6-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone?
1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 60974700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).