(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone

C22H25N3O2 — CID 71701392

IUPAC(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(Cc3ccccc3)CC1)cn2C
InChIInChI=1S/C22H25N3O2/c1-23-16-20(19-14-18(27-2)8-9-21(19)23)22(26)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyZQKKWEFTLCHUOI-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.14
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone

(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone (PubChem CID 71701392) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
PubChem CID71701392
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone
SMILESCOc1ccc2c(c1)c(C(=O)N1CCN(Cc3ccccc3)CC1)cn2C
InChIInChI=1S/C22H25N3O2/c1-23-16-20(19-14-18(27-2)8-9-21(19)23)22(26)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyZQKKWEFTLCHUOI-UHFFFAOYSA-N
XLogP3.14
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylpiperazine-1-carbonyl)-6-ethoxy-1-methylquinolin-4-one
CID 30133996
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
(4-benzyl-1,4-diazepan-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 30469431
3-(4-benzylpiperazine-1-carbonyl)-N,N,1-trimethyl-4-oxoquinoline-6-sulfonamide
CID 20859043
(4-benzylpiperazin-1-yl)-(5-bromo-2-methoxyphenyl)methanone
CID 17174738
(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821362
3-[[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]methyl]benzoic acid
CID 122028789
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 19323261
[2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19323262
(4-benzylpiperazin-1-yl)-[6-bromo-2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 5226155

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone (CID 71701392) is (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone is COc1ccc2c(c1)c(C(=O)N1CCN(Cc3ccccc3)CC1)cn2C.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone?
The InChIKey is ZQKKWEFTLCHUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-23-16-20(19-14-18(27-2)8-9-21(19)23)22(26)25-12-10-24(11-13-25)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-methoxy-1-methylindol-3-yl)methanone is sourced from PubChem (CID 71701392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).