2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

C11H22N4O — CID 62068636

IUPAC2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCC(N)C2)CC1
InChIInChI=1S/C11H22N4O/c1-13-4-6-15(7-5-13)11(16)9-14-3-2-10(12)8-14/h10H,2-9,12H2,1H3
InChIKeyIDRLRHSSAKQYQU-UHFFFAOYSA-N
MW226.32 g/mol
LogP-1.21
Rot. Bonds2

About 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 62068636) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID62068636
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CN2CCC(N)C2)CC1
InChIInChI=1S/C11H22N4O/c1-13-4-6-15(7-5-13)11(16)9-14-3-2-10(12)8-14/h10H,2-9,12H2,1H3
InChIKeyIDRLRHSSAKQYQU-UHFFFAOYSA-N
XLogP-1.21
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-aminopyrrolidin-1-yl]-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 68646735
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 94340668
2-[(3S)-3-aminopyrrolidin-1-yl]-1-piperidin-1-ylethanone;hydrochloride
CID 119933833
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 103976457
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 55064854
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 62545473
1-(4-acetylpiperazin-1-yl)-2-[3-(aminomethyl)pyrrolidin-1-yl]ethanone
CID 62063064
2-(4-aminopiperidin-1-yl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 79328558
methyl 2-[4-[2-(4-aminopiperidin-1-yl)acetyl]piperazin-1-yl]acetate
CID 79323233

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 62068636) is 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CN2CCC(N)C2)CC1.
What is the InChIKey of 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is IDRLRHSSAKQYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-13-4-6-15(7-5-13)11(16)9-14-3-2-10(12)8-14/h10H,2-9,12H2,1H3.
What are the key properties of 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 226.32 g/mol, XLogP of -1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 62068636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).