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

C12H21N3O — CID 105481028

IUPAC1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
SMILESO=C1CCN(C2CC2)N1CC1CCCNC1
InChIInChI=1S/C12H21N3O/c16-12-5-7-14(11-3-4-11)15(12)9-10-2-1-6-13-8-10/h10-11,13H,1-9H2
InChIKeyUNSFRNMIWLCWKE-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.60
Rot. Bonds3

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

1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one (PubChem CID 105481028) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one.

Molecular Properties

Compound Name1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
PubChem CID105481028
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
SMILESO=C1CCN(C2CC2)N1CC1CCCNC1
InChIInChI=1S/C12H21N3O/c16-12-5-7-14(11-3-4-11)15(12)9-10-2-1-6-13-8-10/h10-11,13H,1-9H2
InChIKeyUNSFRNMIWLCWKE-UHFFFAOYSA-N
XLogP0.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979
2-cyclopropyl-1-piperidin-3-ylpyrazolidin-3-one
CID 105463278
1-(piperidin-3-ylmethyl)-1,4-diazepan-5-one
CID 63004638
3-cyclopropyl-1-(piperidin-3-ylmethyl)imidazolidin-4-one
CID 120857361
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
5-[[(3S)-piperidin-3-yl]methyl]-1,2,5-dithiazepane
CID 130659365
2-ethyl-1-pyrrolidin-3-yldiazinan-3-one
CID 105450944
4-(hydroxymethyl)-1-(piperidin-3-ylmethyl)pyrrolidin-2-one
CID 168661808
[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanol
CID 80554337
6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one
CID 105480988

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
The IUPAC name of 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one (CID 105481028) is 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one.
What is the SMILES notation for 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
The canonical SMILES for 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one is O=C1CCN(C2CC2)N1CC1CCCNC1.
What is the InChIKey of 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
The InChIKey is UNSFRNMIWLCWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c16-12-5-7-14(11-3-4-11)15(12)9-10-2-1-6-13-8-10/h10-11,13H,1-9H2.
What are the key properties of 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one?
1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one has a molecular weight of 223.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one is sourced from PubChem (CID 105481028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).