1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride

C15H29ClN4O2 — CID 119911425

IUPAC1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)CN2CCCCC2C(C)N)CC1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-12(16)14-5-3-4-6-19(14)11-15(21)18-9-7-17(8-10-18)13(2)20;/h12,14H,3-11,16H2,1-2H3;1H
InChIKeyAAMWLWOXLYSUFK-UHFFFAOYSA-N
MW332.88 g/mol
LogP0.30
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride

1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119911425) has the molecular formula C15H29ClN4O2 and a molecular weight of 332.88 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119911425
Molecular FormulaC15H29ClN4O2
Molecular Weight332.88 g/mol
Exact Mass332.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
SMILESCC(=O)N1CCN(C(=O)CN2CCCCC2C(C)N)CC1.Cl
InChIInChI=1S/C15H28N4O2.ClH/c1-12(16)14-5-3-4-6-19(14)11-15(21)18-9-7-17(8-10-18)13(2)20;/h12,14H,3-11,16H2,1-2H3;1H
InChIKeyAAMWLWOXLYSUFK-UHFFFAOYSA-N
XLogP0.30
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone
CID 119911959
propan-2-yl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255309
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
CID 63594840
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
tert-butyl 2-[2-(1-aminoethyl)piperidin-1-yl]acetate
CID 63255220
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119911978
2-[2-(1-aminoethyl)piperidin-1-yl]-N-butylacetamide
CID 63255648
2-[2-[1-(methylamino)ethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63854337
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 43187002
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride (CID 119911425) is 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride is CC(=O)N1CCN(C(=O)CN2CCCCC2C(C)N)CC1.Cl.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is AAMWLWOXLYSUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.ClH/c1-12(16)14-5-3-4-6-19(14)11-15(21)18-9-7-17(8-10-18)13(2)20;/h12,14H,3-11,16H2,1-2H3;1H.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride?
1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119911425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).