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

C15H28N4O2 — CID 63594840

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(C(C)N)CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-12(16)14-3-5-17(6-4-14)11-15(21)19-9-7-18(8-10-19)13(2)20/h12,14H,3-11,16H2,1-2H3
InChIKeyOWOYOGWCKMBNKS-UHFFFAOYSA-N
MW296.42 g/mol
LogP-0.26
Rot. Bonds3

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

1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone (PubChem CID 63594840) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
PubChem CID63594840
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(C(C)N)CC2)CC1
InChIInChI=1S/C15H28N4O2/c1-12(16)14-3-5-17(6-4-14)11-15(21)19-9-7-18(8-10-19)13(2)20/h12,14H,3-11,16H2,1-2H3
InChIKeyOWOYOGWCKMBNKS-UHFFFAOYSA-N
XLogP-0.26
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63595543
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 103976457
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 112630179
1-(4-acetylpiperazin-1-yl)-2-[2-(1-aminoethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119911425
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
2-[4-(1-aminoethyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 63596067
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
2-[4-(1-aminoethyl)piperidin-1-yl]-N,N-dipropylacetamide
CID 55217068
1-(4-acetylpiperazin-1-yl)-2-[4-(N-methylanilino)piperidin-1-yl]ethanone
CID 136579513
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone (CID 63594840) is 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone is CC(=O)N1CCN(C(=O)CN2CCC(C(C)N)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone?
The InChIKey is OWOYOGWCKMBNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-12(16)14-3-5-17(6-4-14)11-15(21)19-9-7-18(8-10-19)13(2)20/h12,14H,3-11,16H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone has a molecular weight of 296.42 g/mol, XLogP of -0.26, 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-[4-(1-aminoethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 63594840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).