(3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone

C24H30FN3O3 — CID 74774992

IUPAC(3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(CC3CNNC3c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C24H30FN3O3/c1-30-21-10-7-17(12-22(21)31-2)24(29)18-4-3-11-28(14-18)15-19-13-26-27-23(19)16-5-8-20(25)9-6-16/h5-10,12,18-19,23,26-27H,3-4,11,13-15H2,1-2H3
InChIKeyZVFIIZOWPDUSHF-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.20
Rot. Bonds7

About (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone (PubChem CID 74774992) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone
PubChem CID74774992
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name(3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(CC3CNNC3c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C24H30FN3O3/c1-30-21-10-7-17(12-22(21)31-2)24(29)18-4-3-11-28(14-18)15-19-13-26-27-23(19)16-5-8-20(25)9-6-16/h5-10,12,18-19,23,26-27H,3-4,11,13-15H2,1-2H3
InChIKeyZVFIIZOWPDUSHF-UHFFFAOYSA-N
XLogP3.20
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone (CID 74774992) is (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(CC3CNNC3c3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone?
The InChIKey is ZVFIIZOWPDUSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-30-21-10-7-17(12-22(21)31-2)24(29)18-4-3-11-28(14-18)15-19-13-26-27-23(19)16-5-8-20(25)9-6-16/h5-10,12,18-19,23,26-27H,3-4,11,13-15H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone has a molecular weight of 427.52 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 74774992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).