1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

C15H29N3O — CID 176984404

IUPAC1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCC1CCN(C(=O)CN2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-4-14-5-6-18(11-14)15(19)12-16-7-9-17(10-8-16)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyBKIYFJJKYJCYST-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.27
Rot. Bonds4

About 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone

1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 176984404) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID176984404
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCCC1CCN(C(=O)CN2CCN(C(C)C)CC2)C1
InChIInChI=1S/C15H29N3O/c1-4-14-5-6-18(11-14)15(19)12-16-7-9-17(10-8-16)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyBKIYFJJKYJCYST-UHFFFAOYSA-N
XLogP1.27
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(4-ethylpiperidin-1-yl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 156799298
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
2-(4-aminopiperidin-1-yl)-1-(3-ethylpiperidin-1-yl)ethanone
CID 79327467
ethane;1-(4-ethylpiperidin-1-yl)-2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethanone
CID 176985365
ethane;1-(4-ethylpiperidin-1-yl)-2-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 176984732
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
CID 134471128
ethane;1-(4-ethylpiperazin-1-yl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 162725519
1-(4-ethylpiperidin-1-yl)-2-thiomorpholin-4-ylethanone
CID 67583660
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
2-(3-propan-2-ylazetidin-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 167479955
1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-2-one
CID 176575948

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 176984404) is 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is CCC1CCN(C(=O)CN2CCN(C(C)C)CC2)C1.
What is the InChIKey of 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BKIYFJJKYJCYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-14-5-6-18(11-14)15(19)12-16-7-9-17(10-8-16)13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone?
1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 176984404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).