1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one

C10H19N3O — CID 105450979

IUPAC1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
SMILESCN1CCC(=O)N1CC1CCCNC1
InChIInChI=1S/C10H19N3O/c1-12-6-4-10(14)13(12)8-9-3-2-5-11-7-9/h9,11H,2-8H2,1H3
InChIKeyMZLNZHFBPHMYLG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.07
Rot. Bonds2

About 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one

1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one (PubChem CID 105450979) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
PubChem CID105450979
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
SMILESCN1CCC(=O)N1CC1CCCNC1
InChIInChI=1S/C10H19N3O/c1-12-6-4-10(14)13(12)8-9-3-2-5-11-7-9/h9,11H,2-8H2,1H3
InChIKeyMZLNZHFBPHMYLG-UHFFFAOYSA-N
XLogP0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105481028
1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
CID 63004638
1-(piperidin-3-ylmethyl)pyrrolidin-3-one;hydrochloride
CID 115031072
methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
CID 121208947
methyl (2S)-5-oxo-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 129495138
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
6,6-dimethyl-3-(piperidin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836309
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
2-methyl-1-[2-(piperidin-3-ylmethyl)phenyl]pyrazolidin-3-one
CID 117436462
4-tert-butyl-3-methyl-1-(piperidin-3-ylmethyl)imidazolidin-2-one
CID 116981844
3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
CID 120857361

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
The IUPAC name of 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one (CID 105450979) is 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
The canonical SMILES for 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one is CN1CCC(=O)N1CC1CCCNC1.
What is the InChIKey of 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
The InChIKey is MZLNZHFBPHMYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-12-6-4-10(14)13(12)8-9-3-2-5-11-7-9/h9,11H,2-8H2,1H3.
What are the key properties of 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one has a molecular weight of 197.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one is sourced from PubChem (CID 105450979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).