[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

C15H31Cl2N3O2 — CID 119880491

IUPAC[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCCOCCN1CCN(C(=O)C2CCNC2)CC1CC.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-3-14-12-18(15(19)13-5-6-16-11-13)8-7-17(14)9-10-20-4-2;;/h13-14,16H,3-12H2,1-2H3;2*1H
InChIKeyXNKZUEOAKJWOEE-UHFFFAOYSA-N
MW356.34 g/mol
LogP1.40
Rot. Bonds6

About [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride

[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (PubChem CID 119880491) has the molecular formula C15H31Cl2N3O2 and a molecular weight of 356.34 g/mol. Its IUPAC name is [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
PubChem CID119880491
Molecular FormulaC15H31Cl2N3O2
Molecular Weight356.34 g/mol
Exact Mass355.18
IUPAC Name[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
SMILESCCOCCN1CCN(C(=O)C2CCNC2)CC1CC.Cl.Cl
InChIInChI=1S/C15H29N3O2.2ClH/c1-3-14-12-18(15(19)13-5-6-16-11-13)8-7-17(14)9-10-20-4-2;;/h13-14,16H,3-12H2,1-2H3;2*1H
InChIKeyXNKZUEOAKJWOEE-UHFFFAOYSA-N
XLogP1.40
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880437
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704580
2-(cyclopropylmethylamino)-1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone;dihydrochloride
CID 119880457
(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 119880418
(1-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880445
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942038
[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129499600
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95317623
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The IUPAC name of [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride (CID 119880491) is [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride is CCOCCN1CCN(C(=O)C2CCNC2)CC1CC.Cl.Cl.
What is the InChIKey of [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
The InChIKey is XNKZUEOAKJWOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2.2ClH/c1-3-14-12-18(15(19)13-5-6-16-11-13)8-7-17(14)9-10-20-4-2;;/h13-14,16H,3-12H2,1-2H3;2*1H.
What are the key properties of [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride?
[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride has a molecular weight of 356.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119880491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).