5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole

C19H25N5O — CID 53192269

IUPAC5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole
SMILESCOc1ccc2c(c1)c(CN1CCC(c3n[nH]c(C)n3)CC1)cn2C
InChIInChI=1S/C19H25N5O/c1-13-20-19(22-21-13)14-6-8-24(9-7-14)12-15-11-23(2)18-5-4-16(25-3)10-17(15)18/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,20,21,22)
InChIKeyPYDMBOBVKUVADF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.99
Rot. Bonds4

About 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole

5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole (PubChem CID 53192269) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole
PubChem CID53192269
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole
SMILESCOc1ccc2c(c1)c(CN1CCC(c3n[nH]c(C)n3)CC1)cn2C
InChIInChI=1S/C19H25N5O/c1-13-20-19(22-21-13)14-6-8-24(9-7-14)12-15-11-23(2)18-5-4-16(25-3)10-17(15)18/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,20,21,22)
InChIKeyPYDMBOBVKUVADF-UHFFFAOYSA-N
XLogP2.99
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Isopropoxy-3-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole
CID 90400782
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]methyl]-5-methoxy-1H-indole
CID 142471801
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168271257
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168279197
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168280914
2-{(2E)-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinylidene}-2,3-dihydro-1H-benzimidazole
CID 9633907
N',N'-diethyl-N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 183282
N'-(8-Methoxy-4,5-dimethyl-5H-pyrido(4,3-b) indol-1-yl)-N,N-dimethylpropanediamine
CID 183287
N',N'-diethyl-N-(8-methoxy-4-methyl-5H-pyrido[4,3-b]indol-1-yl)propane-1,3-diamine
CID 197233

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole?
The IUPAC name of 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole (CID 53192269) is 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole.
What is the SMILES notation for 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole?
The canonical SMILES for 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole is COc1ccc2c(c1)c(CN1CCC(c3n[nH]c(C)n3)CC1)cn2C.
What is the InChIKey of 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole?
The InChIKey is PYDMBOBVKUVADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-20-19(22-21-13)14-6-8-24(9-7-14)12-15-11-23(2)18-5-4-16(25-3)10-17(15)18/h4-5,10-11,14H,6-9,12H2,1-3H3,(H,20,21,22).
What are the key properties of 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole?
5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole has a molecular weight of 339.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-[[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]indole is sourced from PubChem (CID 53192269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).