5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide

C20H26N6O — CID 119865572

IUPAC5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3nnn(C4CCNCC4)c3C)ccc21
InChIInChI=1S/C20H26N6O/c1-3-11-25-12-8-15-13-16(4-5-18(15)25)22-20(27)19-14(2)26(24-23-19)17-6-9-21-10-7-17/h4-5,8,12-13,17,21H,3,6-7,9-11H2,1-2H3,(H,22,27)
InChIKeyRGZBWMPCSXQPIF-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.13
Rot. Bonds5

About 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide

5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide (PubChem CID 119865572) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide
PubChem CID119865572
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide
SMILESCCCn1ccc2cc(NC(=O)c3nnn(C4CCNCC4)c3C)ccc21
InChIInChI=1S/C20H26N6O/c1-3-11-25-12-8-15-13-16(4-5-18(15)25)22-20(27)19-14(2)26(24-23-19)17-6-9-21-10-7-17/h4-5,8,12-13,17,21H,3,6-7,9-11H2,1-2H3,(H,22,27)
InChIKeyRGZBWMPCSXQPIF-UHFFFAOYSA-N
XLogP3.13
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298
N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
N-(3-bromophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119670376
5-methyl-N-(2-methyl-4-pyridinyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119832832
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119709833
5-methyl-N-(4-methyl-3-nitrophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670814
N-(3-fluoro-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705669

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide (CID 119865572) is 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide is CCCn1ccc2cc(NC(=O)c3nnn(C4CCNCC4)c3C)ccc21.
What is the InChIKey of 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide?
The InChIKey is RGZBWMPCSXQPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-3-11-25-12-8-15-13-16(4-5-18(15)25)22-20(27)19-14(2)26(24-23-19)17-6-9-21-10-7-17/h4-5,8,12-13,17,21H,3,6-7,9-11H2,1-2H3,(H,22,27).
What are the key properties of 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide?
5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-piperidin-4-yl-N-(1-propylindol-5-yl)triazole-4-carboxamide is sourced from PubChem (CID 119865572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).