(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone

C14H27N3O2 — CID 119880418

IUPAC(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)C2(N)CC2)CC1CC
InChIInChI=1S/C14H27N3O2/c1-3-12-11-17(13(18)14(15)5-6-14)8-7-16(12)9-10-19-4-2/h12H,3-11,15H2,1-2H3
InChIKeyDMEOZKORUJCLRH-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds6

About (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone

(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone (PubChem CID 119880418) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
PubChem CID119880418
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
SMILESCCOCCN1CCN(C(=O)C2(N)CC2)CC1CC
InChIInChI=1S/C14H27N3O2/c1-3-12-11-17(13(18)14(15)5-6-14)8-7-16(12)9-10-19-4-2/h12H,3-11,15H2,1-2H3
InChIKeyDMEOZKORUJCLRH-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
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

(1-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880445
(1-aminocyclohexyl)-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880395
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-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
(3-aminocyclopentyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone;dihydrochloride
CID 119880437
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95317623
1-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119942038
(1-aminocyclohexyl)-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119880225
[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119880491
[4-(aminomethyl)oxan-4-yl]-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 120941325
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone
CID 120646449

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone (CID 119880418) is (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone is CCOCCN1CCN(C(=O)C2(N)CC2)CC1CC.
What is the InChIKey of (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
The InChIKey is DMEOZKORUJCLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-12-11-17(13(18)14(15)5-6-14)8-7-16(12)9-10-19-4-2/h12H,3-11,15H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone?
(1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone has a molecular weight of 269.39 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]methanone is sourced from PubChem (CID 119880418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).