2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide

C18H22N6O — CID 120644506

IUPAC2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H22N6O/c1-24-18(22-17(23-24)12-6-8-19-9-7-12)21-16(25)10-13-11-20-15-5-3-2-4-14(13)15/h2-5,11-12,19-20H,6-10H2,1H3,(H,21,22,23,25)
InChIKeyGBUCYODSXCNDRJ-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.94
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide

2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (PubChem CID 120644506) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
PubChem CID120644506
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
SMILESCn1nc(C2CCNCC2)nc1NC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C18H22N6O/c1-24-18(22-17(23-24)12-6-8-19-9-7-12)21-16(25)10-13-11-20-15-5-3-2-4-14(13)15/h2-5,11-12,19-20H,6-10H2,1H3,(H,21,22,23,25)
InChIKeyGBUCYODSXCNDRJ-UHFFFAOYSA-N
XLogP1.94
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790
2-(4-ethoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120642114
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120644142
4-(1H-benzimidazol-2-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide
CID 120642758
N-[2-[(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)amino]-2-oxoethyl]benzamide;hydrochloride
CID 120642991
2-(3-bromo-4-fluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120643814
1-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)pyrrole-2-carboxamide
CID 120643132
3-(furan-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120644600
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 120645027
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 120643034
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)thieno[3,2-b][1]benzothiole-2-carboxamide
CID 120642347

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide (CID 120644506) is 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is Cn1nc(C2CCNCC2)nc1NC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is GBUCYODSXCNDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-24-18(22-17(23-24)12-6-8-19-9-7-12)21-16(25)10-13-11-20-15-5-3-2-4-14(13)15/h2-5,11-12,19-20H,6-10H2,1H3,(H,21,22,23,25).
What are the key properties of 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide?
2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 120644506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).