2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone

C14H26N2O2 — CID 114018492

IUPAC2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
SMILESCCCOCC(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2/c1-2-10-18-11-14(17)16-9-4-3-7-13(16)12-6-5-8-15-12/h12-13,15H,2-11H2,1H3
InChIKeySILLPLWBNXLTCQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.55
Rot. Bonds5

About 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone

2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone (PubChem CID 114018492) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
PubChem CID114018492
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
SMILESCCCOCC(=O)N1CCCCC1C1CCCN1
InChIInChI=1S/C14H26N2O2/c1-2-10-18-11-14(17)16-9-4-3-7-13(16)12-6-5-8-15-12/h12-13,15H,2-11H2,1H3
InChIKeySILLPLWBNXLTCQ-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256717
2-propan-2-yloxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone
CID 112603375
1-(2-pyrrolidin-2-ylpiperidin-1-yl)nonan-1-one
CID 65428876
ethyl 2-pyrrolidin-2-ylpyrrolidine-1-carboxylate
CID 62273377
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
2,2-dimethyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 55168953
3-methyl-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 62275584
1-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-2-propoxyethanone
CID 107940234
1-(2-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 76991018
cycloheptyl-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256843
2-(3-ethoxycyclobutyl)-1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 103164909
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)methanone
CID 175339553

Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone (CID 114018492) is 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone is CCCOCC(=O)N1CCCCC1C1CCCN1.
What is the InChIKey of 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
The InChIKey is SILLPLWBNXLTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-10-18-11-14(17)16-9-4-3-7-13(16)12-6-5-8-15-12/h12-13,15H,2-11H2,1H3.
What are the key properties of 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone?
2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1-(2-pyrrolidin-2-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 114018492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).