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

C9H17N3O — CID 105440737

IUPAC1-(piperidin-2-ylmethyl)pyrazolidin-3-one
SMILESO=C1CCN(CC2CCCCN2)N1
InChIInChI=1S/C9H17N3O/c13-9-4-6-12(11-9)7-8-3-1-2-5-10-8/h8,10H,1-7H2,(H,11,13)
InChIKeyHFRBVVUDKXQFCK-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.13
Rot. Bonds2

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

1-(piperidin-2-ylmethyl)pyrazolidin-3-one (PubChem CID 105440737) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(piperidin-2-ylmethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-(piperidin-2-ylmethyl)pyrazolidin-3-one
PubChem CID105440737
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(piperidin-2-ylmethyl)pyrazolidin-3-one
SMILESO=C1CCN(CC2CCCCN2)N1
InChIInChI=1S/C9H17N3O/c13-9-4-6-12(11-9)7-8-3-1-2-5-10-8/h8,10H,1-7H2,(H,11,13)
InChIKeyHFRBVVUDKXQFCK-UHFFFAOYSA-N
XLogP-0.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyrrolidin-2-ylmethyl)pyrazolidin-3-one
CID 105434202
1-(piperidin-2-ylmethyl)pyrrolidin-3-one
CID 115016246
1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one
CID 117402493
4-(piperidin-2-ylmethyl)piperazin-2-one;hydrochloride
CID 156593487
1-(pyrrolidin-2-ylmethyl)azepan-4-one
CID 115020782
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539
3-[[(2S)-piperidin-2-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 99737469
3-methyl-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-2-one
CID 102819920
2-(piperidin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
CID 105498032
4-methyl-1-(piperidin-2-ylmethyl)pyrrolidin-2-one
CID 63104427
5-cyclobutyl-2-(piperidin-2-ylmethyl)-1H-pyrazol-3-one
CID 84727120
4-(azepan-2-ylmethyl)-2,6-dimethylthiomorpholine
CID 64568587

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-2-ylmethyl)pyrazolidin-3-one?
The IUPAC name of 1-(piperidin-2-ylmethyl)pyrazolidin-3-one (CID 105440737) is 1-(piperidin-2-ylmethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-(piperidin-2-ylmethyl)pyrazolidin-3-one?
The canonical SMILES for 1-(piperidin-2-ylmethyl)pyrazolidin-3-one is O=C1CCN(CC2CCCCN2)N1.
What is the InChIKey of 1-(piperidin-2-ylmethyl)pyrazolidin-3-one?
The InChIKey is HFRBVVUDKXQFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c13-9-4-6-12(11-9)7-8-3-1-2-5-10-8/h8,10H,1-7H2,(H,11,13).
What are the key properties of 1-(piperidin-2-ylmethyl)pyrazolidin-3-one?
1-(piperidin-2-ylmethyl)pyrazolidin-3-one has a molecular weight of 183.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-2-ylmethyl)pyrazolidin-3-one is sourced from PubChem (CID 105440737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).