1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone

C13H24N2O2 — CID 61364485

IUPAC1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCCOC1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-17-12-5-8-15(9-6-12)13(16)10-11-4-3-7-14-11/h11-12,14H,2-10H2,1H3
InChIKeyHQGVBWBIRXZPNW-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone

1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 61364485) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
PubChem CID61364485
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
SMILESCCOC1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-2-17-12-5-8-15(9-6-12)13(16)10-11-4-3-7-14-11/h11-12,14H,2-10H2,1H3
InChIKeyHQGVBWBIRXZPNW-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 66420291
2-pyrrolidin-2-yl-1-[4-(2-pyrrolidin-1-ylethoxy)piperidin-1-yl]ethanone;dihydrochloride
CID 119895118
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119815525
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 64597887
N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732751
N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
CID 119837520

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone (CID 61364485) is 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone is CCOC1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is HQGVBWBIRXZPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-17-12-5-8-15(9-6-12)13(16)10-11-4-3-7-14-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone?
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 61364485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).