4-methyl-1-piperazin-1-ylpentan-1-one

C10H20N2O — CID 20596588

IUPAC4-methyl-1-piperazin-1-ylpentan-1-one
SMILESCC(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O/c1-9(2)3-4-10(13)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyWTTMKNYUCLJJKZ-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.85
Rot. Bonds3

About 4-methyl-1-piperazin-1-ylpentan-1-one

4-methyl-1-piperazin-1-ylpentan-1-one (PubChem CID 20596588) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-methyl-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name4-methyl-1-piperazin-1-ylpentan-1-one
PubChem CID20596588
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-methyl-1-piperazin-1-ylpentan-1-one
SMILESCC(C)CCC(=O)N1CCNCC1
InChIInChI=1S/C10H20N2O/c1-9(2)3-4-10(13)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3
InChIKeyWTTMKNYUCLJJKZ-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-1-piperazin-1-ylpentan-1-one
CID 143763421
N,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)pentanamide
CID 43603175
1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
CID 137433036
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
1-piperazin-1-yl-3-propan-2-ylsulfanylpropan-1-one
CID 62544723
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
4-(4-hydroxyphenyl)-1-piperazin-1-ylpentan-1-one
CID 83930393
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
5-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 82848388
3-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119400363

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperazin-1-ylpentan-1-one?
The IUPAC name of 4-methyl-1-piperazin-1-ylpentan-1-one (CID 20596588) is 4-methyl-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for 4-methyl-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for 4-methyl-1-piperazin-1-ylpentan-1-one is CC(C)CCC(=O)N1CCNCC1.
What is the InChIKey of 4-methyl-1-piperazin-1-ylpentan-1-one?
The InChIKey is WTTMKNYUCLJJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(2)3-4-10(13)12-7-5-11-6-8-12/h9,11H,3-8H2,1-2H3.
What are the key properties of 4-methyl-1-piperazin-1-ylpentan-1-one?
4-methyl-1-piperazin-1-ylpentan-1-one has a molecular weight of 184.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 20596588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).