(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone

C23H30N4O2 — CID 134098817

IUPAC(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)NN2)cc1
InChIInChI=1S/C23H30N4O2/c1-16-4-5-19(14-17(16)2)23(28)27-12-10-26(11-13-27)22-15-21(24-25-22)18-6-8-20(29-3)9-7-18/h4-9,14,21-22,24-25H,10-13,15H2,1-3H3
InChIKeyOPHKFDRQWGQEQL-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.64
Rot. Bonds4

About (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone

(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (PubChem CID 134098817) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
PubChem CID134098817
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
SMILESCOc1ccc(C2CC(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)NN2)cc1
InChIInChI=1S/C23H30N4O2/c1-16-4-5-19(14-17(16)2)23(28)27-12-10-26(11-13-27)22-15-21(24-25-22)18-6-8-20(29-3)9-7-18/h4-9,14,21-22,24-25H,10-13,15H2,1-3H3
InChIKeyOPHKFDRQWGQEQL-UHFFFAOYSA-N
XLogP2.64
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 134098789
(2,5-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098851
(4-chloro-2-methoxyphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone
CID 134098841
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
1,3-benzodioxol-5-yl-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 75950258
(5-chloro-2-methoxyphenyl)-[4-(5-phenylpyrazolidin-3-yl)piperazin-1-yl]methanone
CID 134088263
N-[4-[4-(5-phenylpyrazolidin-3-yl)piperazine-1-carbonyl]phenyl]acetamide
CID 134088257
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
1-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 60619014
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
3,5-dimethoxy-N-[1-(5-phenylpyrazolidin-3-yl)piperidin-4-yl]benzamide
CID 134098869

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone (CID 134098817) is (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is COc1ccc(C2CC(N3CCN(C(=O)c4ccc(C)c(C)c4)CC3)NN2)cc1.
What is the InChIKey of (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
The InChIKey is OPHKFDRQWGQEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-4-5-19(14-17(16)2)23(28)27-12-10-26(11-13-27)22-15-21(24-25-22)18-6-8-20(29-3)9-7-18/h4-9,14,21-22,24-25H,10-13,15H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone has a molecular weight of 394.52 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-[5-(4-methoxyphenyl)pyrazolidin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 134098817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).