1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride

C16H31ClN4O2 — CID 120704431

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)CNC)CC2)CC1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-3-18-8-10-20(11-9-18)15(21)12-14-4-6-19(7-5-14)16(22)13-17-2;/h14,17H,3-13H2,1-2H3;1H
InChIKeyOIZPGXSTTNIXAP-UHFFFAOYSA-N
MW346.90 g/mol
LogP0.42
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride

1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride (PubChem CID 120704431) has the molecular formula C16H31ClN4O2 and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
PubChem CID120704431
Molecular FormulaC16H31ClN4O2
Molecular Weight346.90 g/mol
Exact Mass346.21
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)CNC)CC2)CC1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-3-18-8-10-20(11-9-18)15(21)12-14-4-6-19(7-5-14)16(22)13-17-2;/h14,17H,3-13H2,1-2H3;1H
InChIKeyOIZPGXSTTNIXAP-UHFFFAOYSA-N
XLogP0.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
CID 119879448
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
4-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596615
2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 119879435
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119852035
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 50950882
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride (CID 120704431) is 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride is CCN1CCN(C(=O)CC2CCN(C(=O)CNC)CC2)CC1.Cl.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride?
The InChIKey is OIZPGXSTTNIXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.ClH/c1-3-18-8-10-20(11-9-18)15(21)12-14-4-6-19(7-5-14)16(22)13-17-2;/h14,17H,3-13H2,1-2H3;1H.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride?
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 120704431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).