2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide

C21H26N6O — CID 28697267

IUPAC2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CN2CCC(n3cc(C4CC4)nn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N6O/c22-21(28)14-26-12-16(18-3-1-2-4-20(18)26)11-25-9-7-17(8-10-25)27-13-19(23-24-27)15-5-6-15/h1-4,12-13,15,17H,5-11,14H2,(H2,22,28)
InChIKeyWEGJSPXKKAGURR-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.43
Rot. Bonds6

About 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide

2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide (PubChem CID 28697267) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide
PubChem CID28697267
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CN2CCC(n3cc(C4CC4)nn3)CC2)c2ccccc21
InChIInChI=1S/C21H26N6O/c22-21(28)14-26-12-16(18-3-1-2-4-20(18)26)11-25-9-7-17(8-10-25)27-13-19(23-24-27)15-5-6-15/h1-4,12-13,15,17H,5-11,14H2,(H2,22,28)
InChIKeyWEGJSPXKKAGURR-UHFFFAOYSA-N
XLogP2.43
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]-1-(2-methylpropyl)benzimidazole
CID 46991593
2-[3-[[(3R,4R)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 133121113
2-[3-[[(3S)-3-propoxypiperidin-1-yl]methyl]indol-1-yl]acetamide
CID 51500199
2-(benzimidazol-1-yl)-1-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]ethanone
CID 121190056
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-naphthalen-1-ylethanone
CID 124891823
N-propan-2-yl-2-[3-[(4-pyridin-4-ylpiperidin-1-yl)methyl]indol-1-yl]acetamide
CID 46967123
1-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-indol-1-ylethanone
CID 124760367
4-(4-cyclopropyltriazol-1-yl)-1-(furan-3-ylmethyl)piperidine
CID 31125414
2-[3-[[4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]methyl]indol-1-yl]-N-propan-2-ylacetamide
CID 51872377
acetic acid;2-[3-(pyrrolidin-1-ylmethyl)indol-1-yl]acetic acid
CID 46736509
2-[3-[[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]indol-1-yl]acetamide
CID 46967190
2-[3-[[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]methyl]indol-1-yl]acetamide
CID 95220646

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide (CID 28697267) is 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide is NC(=O)Cn1cc(CN2CCC(n3cc(C4CC4)nn3)CC2)c2ccccc21.
What is the InChIKey of 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
The InChIKey is WEGJSPXKKAGURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c22-21(28)14-26-12-16(18-3-1-2-4-20(18)26)11-25-9-7-17(8-10-25)27-13-19(23-24-27)15-5-6-15/h1-4,12-13,15,17H,5-11,14H2,(H2,22,28).
What are the key properties of 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide?
2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]methyl]indol-1-yl]acetamide is sourced from PubChem (CID 28697267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).