3-(4-methylpiperazin-1-yl)pentan-2-one

C10H20N2O — CID 173103294

IUPAC3-(4-methylpiperazin-1-yl)pentan-2-one
SMILESCCC(C(C)=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-4-10(9(2)13)12-7-5-11(3)6-8-12/h10H,4-8H2,1-3H3
InChIKeyDGEBBQIEDMUTHM-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.60
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)pentan-2-one

3-(4-methylpiperazin-1-yl)pentan-2-one (PubChem CID 173103294) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)pentan-2-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)pentan-2-one
PubChem CID173103294
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-(4-methylpiperazin-1-yl)pentan-2-one
SMILESCCC(C(C)=O)N1CCN(C)CC1
InChIInChI=1S/C10H20N2O/c1-4-10(9(2)13)12-7-5-11(3)6-8-12/h10H,4-8H2,1-3H3
InChIKeyDGEBBQIEDMUTHM-UHFFFAOYSA-N
XLogP0.60
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperazin-1-ylpentan-2-one
CID 68969032
lithium 2-(4-methyl-1,4-diazepan-1-yl)butanoate
CID 135240366
1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
CID 118278399
3-methyl-2-(4-methylpiperazin-1-yl)pentanoic acid
CID 65420109
ethyl 2-(4-methylpiperazin-1-yl)-3-oxobutanoate
CID 45104528
2-[4,7-bis(1-carboxy-4-oxopentyl)-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]-5-oxohexanoic acid
CID 58731525
ethyl 2-(4-methylpiperazin-1-yl)pentanoate
CID 78964984
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]butanethioamide
CID 82888621
methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220
2-(4-acetylpiperazin-1-yl)butanehydrazide
CID 63568814
(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)butanamide
CID 129298588
2-[4-(1-amino-1-sulfanylidenebutan-2-yl)piperazin-1-yl]butanamide
CID 63341754

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)pentan-2-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)pentan-2-one (CID 173103294) is 3-(4-methylpiperazin-1-yl)pentan-2-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)pentan-2-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)pentan-2-one is CCC(C(C)=O)N1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)pentan-2-one?
The InChIKey is DGEBBQIEDMUTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-10(9(2)13)12-7-5-11(3)6-8-12/h10H,4-8H2,1-3H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)pentan-2-one?
3-(4-methylpiperazin-1-yl)pentan-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)pentan-2-one is sourced from PubChem (CID 173103294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).