1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one

C13H24N4O — CID 116624664

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCN2CCN(C)CC2)c1=O
InChIInChI=1S/C13H24N4O/c1-3-4-16-11-12-17(13(16)18)10-9-15-7-5-14(2)6-8-15/h11-12H,3-10H2,1-2H3
InChIKeyALNQUPNQJQCWIE-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.31
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one

1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one (PubChem CID 116624664) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one
PubChem CID116624664
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCN2CCN(C)CC2)c1=O
InChIInChI=1S/C13H24N4O/c1-3-4-16-11-12-17(13(16)18)10-9-15-7-5-14(2)6-8-15/h11-12H,3-10H2,1-2H3
InChIKeyALNQUPNQJQCWIE-UHFFFAOYSA-N
XLogP0.31
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopropyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 106933814
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
1-(3,3-dimethylbutyl)-3-propylimidazol-2-one
CID 116624740
1-(2-ethylsulfonylethyl)-3-propylimidazol-2-one
CID 116624729
1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one
CID 80582362
5-amino-1-ethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 82891703
1-[3-(methylamino)butyl]-3-propylimidazol-2-one
CID 80581600
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]pyrimidine-2,4-dione
CID 82891914
1-[2-(cyclopentylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582598
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
1-[2-(cyclohexylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582596
1-[2-(3-aminopyrazol-1-yl)ethyl]-3-propylimidazol-2-one
CID 80579181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one (CID 116624664) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one is CCCn1ccn(CCN2CCN(C)CC2)c1=O.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one?
The InChIKey is ALNQUPNQJQCWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-16-11-12-17(13(16)18)10-9-15-7-5-14(2)6-8-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one?
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one has a molecular weight of 252.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 116624664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).