(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C19H23N5O3 — CID 163340317

IUPAC(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c2[nH]c(C(=O)N3CCC(c4n[nH]c(C)n4)CC3)cc12
InChIInChI=1S/C19H23N5O3/c1-11-20-18(23-22-11)12-6-8-24(9-7-12)19(25)14-10-13-15(26-2)4-5-16(27-3)17(13)21-14/h4-5,10,12,21H,6-9H2,1-3H3,(H,20,22,23)
InChIKeyDKJZJEKSBIEIFU-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.63
Rot. Bonds4

About (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 163340317) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID163340317
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(OC)c2[nH]c(C(=O)N3CCC(c4n[nH]c(C)n4)CC3)cc12
InChIInChI=1S/C19H23N5O3/c1-11-20-18(23-22-11)12-6-8-24(9-7-12)19(25)14-10-13-15(26-2)4-5-16(27-3)17(13)21-14/h4-5,10,12,21H,6-9H2,1-3H3,(H,20,22,23)
InChIKeyDKJZJEKSBIEIFU-UHFFFAOYSA-N
XLogP2.63
TPSA96.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-methylphenyl)-1H-pyrazol-5-yl]-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 163340316
(4,7-dimethoxy-1H-indol-2-yl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 46965642
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(6-fluoro-2,3-dimethoxyphenyl)methanone
CID 126778092
N-[(S)-[1-(4,7-dimethoxy-1H-indole-2-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854289
3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 118771981
(3-chloro-4-pyridinyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118790896
(4-methyl-2-phenylpyrimidin-5-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 119070432
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 154841705
(3-hydroxy-4-methylphenyl)-[3-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 128740804
2-(4-methylsulfonylphenyl)-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 118772429
(1-hydroxycyclopentyl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 111565424

Frequently Asked Questions

What is the IUPAC name of (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 163340317) is (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1ccc(OC)c2[nH]c(C(=O)N3CCC(c4n[nH]c(C)n4)CC3)cc12.
What is the InChIKey of (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is DKJZJEKSBIEIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11-20-18(23-22-11)12-6-8-24(9-7-12)19(25)14-10-13-15(26-2)4-5-16(27-3)17(13)21-14/h4-5,10,12,21H,6-9H2,1-3H3,(H,20,22,23).
What are the key properties of (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 369.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,7-dimethoxy-1H-indol-2-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 163340317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).