4-[(1-methylcyclopropyl)methyl]piperazin-2-one

C9H16N2O — CID 130831729

IUPAC4-[(1-methylcyclopropyl)methyl]piperazin-2-one
SMILESCC1(CN2CCNC(=O)C2)CC1
InChIInChI=1S/C9H16N2O/c1-9(2-3-9)7-11-5-4-10-8(12)6-11/h2-7H2,1H3,(H,10,12)
InChIKeyFDJYLOZIPDKVQG-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds2

About 4-[(1-methylcyclopropyl)methyl]piperazin-2-one

4-[(1-methylcyclopropyl)methyl]piperazin-2-one (PubChem CID 130831729) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-[(1-methylcyclopropyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1-methylcyclopropyl)methyl]piperazin-2-one
PubChem CID130831729
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-[(1-methylcyclopropyl)methyl]piperazin-2-one
SMILESCC1(CN2CCNC(=O)C2)CC1
InChIInChI=1S/C9H16N2O/c1-9(2-3-9)7-11-5-4-10-8(12)6-11/h2-7H2,1H3,(H,10,12)
InChIKeyFDJYLOZIPDKVQG-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)piperazin-2-one
CID 170083985
4-(methylsulfanylmethyl)piperazin-2-one
CID 123281664
4-[(2R)-2-hydroxypropyl]piperazin-2-one
CID 92979224
4-[2-(methylamino)ethyl]piperazin-2-one
CID 20607207
4-[(2R)-2-aminopropyl]piperazin-2-one
CID 69001797
4-(2,2,2-trifluoroethyl)piperazin-2-one
CID 67612876
4-(5,5-dimethylhexyl)piperazin-2-one
CID 21304858
4-(4-amino-3,3-dimethylbutyl)piperazin-2-one
CID 65249710
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
4-[(2,2-difluorocyclopentyl)methyl]piperazin-2-one
CID 126793831
4-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)piperazin-2-one
CID 126769443
4-(4-methylpiperidine-4-carbonyl)piperazin-2-one
CID 63121367

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylcyclopropyl)methyl]piperazin-2-one?
The IUPAC name of 4-[(1-methylcyclopropyl)methyl]piperazin-2-one (CID 130831729) is 4-[(1-methylcyclopropyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(1-methylcyclopropyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(1-methylcyclopropyl)methyl]piperazin-2-one is CC1(CN2CCNC(=O)C2)CC1.
What is the InChIKey of 4-[(1-methylcyclopropyl)methyl]piperazin-2-one?
The InChIKey is FDJYLOZIPDKVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-9(2-3-9)7-11-5-4-10-8(12)6-11/h2-7H2,1H3,(H,10,12).
What are the key properties of 4-[(1-methylcyclopropyl)methyl]piperazin-2-one?
4-[(1-methylcyclopropyl)methyl]piperazin-2-one has a molecular weight of 168.24 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylcyclopropyl)methyl]piperazin-2-one is sourced from PubChem (CID 130831729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).