[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C18H26N4O4 — CID 134064271

IUPAC[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CC(c3ccc4c(c3)OCO4)NN2)CC1
InChIInChI=1S/C18H26N4O4/c1-12(23)10-21-4-6-22(7-5-21)18(24)15-9-14(19-20-15)13-2-3-16-17(8-13)26-11-25-16/h2-3,8,12,14-15,19-20,23H,4-7,9-11H2,1H3
InChIKeyFMXJOBMQFBWOQZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP-0.15
Rot. Bonds4

About [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 134064271) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID134064271
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CC(c3ccc4c(c3)OCO4)NN2)CC1
InChIInChI=1S/C18H26N4O4/c1-12(23)10-21-4-6-22(7-5-21)18(24)15-9-14(19-20-15)13-2-3-16-17(8-13)26-11-25-16/h2-3,8,12,14-15,19-20,23H,4-7,9-11H2,1H3
InChIKeyFMXJOBMQFBWOQZ-UHFFFAOYSA-N
XLogP-0.15
TPSA86.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]methanone
CID 75355053
1-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 162332016
methyl 5-(1,3-benzodioxol-5-yl)pyrazolidine-3-carboxylate
CID 78292346
1-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 52987096
[5-(4-hydroxyphenyl)pyrazolidin-3-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 134079807
5-(1,3-benzodioxol-5-yl)-N-(thiophen-2-ylmethyl)pyrazolidine-3-carboxamide
CID 75118909
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
4-[5-(4-chlorophenyl)pyrazolidine-3-carbonyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 74629892
5-(1,3-benzodioxol-5-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyrazolidine-3-carboxamide
CID 75262145
[5-(4-fluorophenyl)pyrazolidin-3-yl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 133108632
2-(4-fluorophenyl)-N-[1-[5-(4-fluorophenyl)pyrazolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 75270626
3-(1,3-benzodioxol-5-ylmethyl)-1-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl]-1-methylurea
CID 97213115

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 134064271) is [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)C2CC(c3ccc4c(c3)OCO4)NN2)CC1.
What is the InChIKey of [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is FMXJOBMQFBWOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-12(23)10-21-4-6-22(7-5-21)18(24)15-9-14(19-20-15)13-2-3-16-17(8-13)26-11-25-16/h2-3,8,12,14-15,19-20,23H,4-7,9-11H2,1H3.
What are the key properties of [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134064271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).