1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone

C13H24N4O2 — CID 62063064

IUPAC1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(CN)C2)CC1
InChIInChI=1S/C13H24N4O2/c1-11(18)16-4-6-17(7-5-16)13(19)10-15-3-2-12(8-14)9-15/h12H,2-10,14H2,1H3
InChIKeyYVODBWAVIQJXLZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP-1.04
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone (PubChem CID 62063064) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
PubChem CID62063064
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)CN2CCC(CN)C2)CC1
InChIInChI=1S/C13H24N4O2/c1-11(18)16-4-6-17(7-5-16)13(19)10-15-3-2-12(8-14)9-15/h12H,2-10,14H2,1H3
InChIKeyYVODBWAVIQJXLZ-UHFFFAOYSA-N
XLogP-1.04
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62062880
1-(4-acetylpiperazin-1-yl)-2-[2-(aminomethyl)morpholin-4-yl]ethanone
CID 114395313
2-[4-(aminomethyl)piperidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119909444
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 62068636
1-(4-acetylpiperazin-1-yl)-2-[4-(1-aminoethyl)piperidin-1-yl]ethanone
CID 63594840
1-(4-acetylpiperazin-1-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 60503697
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone;hydrochloride
CID 119917745
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-[2-[3-(aminomethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
CID 62063066
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone (CID 62063064) is 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCN(C(=O)CN2CCC(CN)C2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is YVODBWAVIQJXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-11(18)16-4-6-17(7-5-16)13(19)10-15-3-2-12(8-14)9-15/h12H,2-10,14H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 268.36 g/mol, XLogP of -1.04, 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-[3-(aminomethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 62063064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).