2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone

C14H26N2O2 — CID 112603375

IUPAC2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)OCC(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2/c1-11(2)18-10-14(17)16-9-4-3-7-13(16)12-6-5-8-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyMTCAEGORZDMYNO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.54
Rot. Bonds4

About 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone

2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone (PubChem CID 112603375) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
PubChem CID112603375
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
SMILESCC(C)OCC(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2/c1-11(2)18-10-14(17)16-9-4-3-7-13(16)12-6-5-8-15-12/h11-13,15H,3-10H2,1-2H3
InChIKeyMTCAEGORZDMYNO-UHFFFAOYSA-N
XLogP1.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 114018492
1-(2-piperidin-4-ylazepan-1-yl)-2-propan-2-yloxyethanone
CID 115949324
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112603247
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 55168953

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone (CID 112603375) is 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone is CC(C)OCC(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is MTCAEGORZDMYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)18-10-14(17)16-9-4-3-7-13(16)12-6-5-8-15-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 112603375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).