1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone

C21H24N4O3 — CID 75950258

IUPAC1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C21H24N4O3/c26-21(16-6-7-18-19(12-16)28-14-27-18)25-10-8-24(9-11-25)20-13-17(22-23-20)15-4-2-1-3-5-15/h1-7,12,17,20,22-23H,8-11,13-14H2
InChIKeyJYRDTOYOYIHLKI-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.74
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone (PubChem CID 75950258) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
PubChem CID75950258
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CCN(C2CC(c3ccccc3)NN2)CC1
InChIInChI=1S/C21H24N4O3/c26-21(16-6-7-18-19(12-16)28-14-27-18)25-10-8-24(9-11-25)20-13-17(22-23-20)15-4-2-1-3-5-15/h1-7,12,17,20,22-23H,8-11,13-14H2
InChIKeyJYRDTOYOYIHLKI-UHFFFAOYSA-N
XLogP1.74
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
CID 134098863
[4-[5-(1,3-benzodioxol-5-yl)pyrazolidin-3-yl]-1,4-diazepan-1-yl]-(1H-indol-2-yl)methanone
CID 75950248
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
1,3-benzodioxol-5-yl-(4-phenylpiperazin-1-yl)methanone
CID 660185
2-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120549237
[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 75950255
[2-(1,3-benzodioxol-5-yl)cyclopropyl]-[4-(5-phenylpyrazolidine-3-carbonyl)piperazin-1-yl]methanone
CID 75355053
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
[4-(1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]-(4-phenylphenyl)methanone
CID 108544309
1,3-benzodioxol-5-yl-[(7S)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903782
1,3-benzodioxol-5-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162634923

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone (CID 75950258) is 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone is O=C(c1ccc2c(c1)OCO2)N1CCN(C2CC(c3ccccc3)NN2)CC1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
The InChIKey is JYRDTOYOYIHLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-21(16-6-7-18-19(12-16)28-14-27-18)25-10-8-24(9-11-25)20-13-17(22-23-20)15-4-2-1-3-5-15/h1-7,12,17,20,22-23H,8-11,13-14H2.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone has a molecular weight of 380.45 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75950258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).