(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone

C23H25N3O3 — CID 53013228

IUPAC(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)cc2c1
InChIInChI=1S/C23H25N3O3/c1-15-10-16(2)12-18(11-15)22(27)25-6-8-26(9-7-25)23(28)21-14-17-13-19(29-3)4-5-20(17)24-21/h4-5,10-14,24H,6-9H2,1-3H3
InChIKeyVNPZFBUADCRJEY-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.39
Rot. Bonds3

About (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone

(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 53013228) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID53013228
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)cc2c1
InChIInChI=1S/C23H25N3O3/c1-15-10-16(2)12-18(11-15)22(27)25-6-8-26(9-7-25)23(28)21-14-17-13-19(29-3)4-5-20(17)24-21/h4-5,10-14,24H,6-9H2,1-3H3
InChIKeyVNPZFBUADCRJEY-UHFFFAOYSA-N
XLogP3.39
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
(5-methoxy-1H-indol-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 67867873
(3,4-dimethoxyphenyl)-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 38486486
2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-methyl-1H-indole-5-carboxamide
CID 71116278
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
2-[(3R,4S)-4-hydroxy-1-(5-methoxy-1H-indole-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154567698
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
1-[4-hydroxy-9-(5-methoxy-1H-indole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 171911779
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
(5-methoxyindol-1-yl)-(5-methoxy-1H-indol-2-yl)methanone
CID 139083916

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone (CID 53013228) is (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)CC3)cc2c1.
What is the InChIKey of (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is VNPZFBUADCRJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-10-16(2)12-18(11-15)22(27)25-6-8-26(9-7-25)23(28)21-14-17-13-19(29-3)4-5-20(17)24-21/h4-5,10-14,24H,6-9H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone?
(3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53013228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).