1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one

C12H24N4O — CID 167474650

IUPAC1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CCN(N)CC2)C1
InChIInChI=1S/C12H24N4O/c1-14-5-4-11(10-14)2-3-12(17)15-6-8-16(13)9-7-15/h11H,2-10,13H2,1H3
InChIKeyHGMARXKVPIEUPX-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.26
Rot. Bonds3

About 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one

1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one (PubChem CID 167474650) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one
PubChem CID167474650
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one
SMILESCN1CCC(CCC(=O)N2CCN(N)CC2)C1
InChIInChI=1S/C12H24N4O/c1-14-5-4-11(10-14)2-3-12(17)15-6-8-16(13)9-7-15/h11H,2-10,13H2,1H3
InChIKeyHGMARXKVPIEUPX-UHFFFAOYSA-N
XLogP-0.26
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(4-methylpiperazin-1-yl)-4-(3-propylpyrrolidin-1-yl)butan-1-one
CID 167480070
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
3-[(3R)-1-methylpiperidin-3-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 97189893
3-(1-methylpiperidin-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 72852191
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
N-methyl-4-(1-methylpyrrolidin-3-yl)butanehydrazide
CID 116845186
ethyl 3-[(3R)-1-methylpiperidin-3-yl]propanoate
CID 59958651
3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 55116653
3-(1-methylpiperidin-4-yl)-1-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propan-1-one
CID 118794592

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one?
The IUPAC name of 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one (CID 167474650) is 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one is CN1CCC(CCC(=O)N2CCN(N)CC2)C1.
What is the InChIKey of 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one?
The InChIKey is HGMARXKVPIEUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-14-5-4-11(10-14)2-3-12(17)15-6-8-16(13)9-7-15/h11H,2-10,13H2,1H3.
What are the key properties of 1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one?
1-(4-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one has a molecular weight of 240.35 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-aminopiperazin-1-yl)-3-(1-methylpyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 167474650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).