1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide

C18H25N5O2 — CID 119555823

IUPAC1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCCC3CCCNC3)c2C)cc1
InChIInChI=1S/C18H25N5O2/c1-13-17(18(24)20-11-9-14-4-3-10-19-12-14)21-22-23(13)15-5-7-16(25-2)8-6-15/h5-8,14,19H,3-4,9-12H2,1-2H3,(H,20,24)
InChIKeyMOMYOCOQLCBSBV-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.70
Rot. Bonds6

About 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide

1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide (PubChem CID 119555823) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
PubChem CID119555823
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
SMILESCOc1ccc(-n2nnc(C(=O)NCCC3CCCNC3)c2C)cc1
InChIInChI=1S/C18H25N5O2/c1-13-17(18(24)20-11-9-14-4-3-10-19-12-14)21-22-23(13)15-5-7-16(25-2)8-6-15/h5-8,14,19H,3-4,9-12H2,1-2H3,(H,20,24)
InChIKeyMOMYOCOQLCBSBV-UHFFFAOYSA-N
XLogP1.70
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119556632
5-methyl-N-(2-piperidin-3-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide
CID 119555935
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119461578
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
1-(3-bromophenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide
CID 119534305
N-(4-aminocyclohexyl)-1-(4-methoxyphenyl)-5-methyltriazole-4-carboxamide;hydrochloride
CID 119475250
1-(4-methoxyphenyl)-5-methyl-N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]triazole-4-carboxamide
CID 126787614
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
1-(3-chlorophenyl)-5-ethyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555457
1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119537008

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide (CID 119555823) is 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide is COc1ccc(-n2nnc(C(=O)NCCC3CCCNC3)c2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide?
The InChIKey is MOMYOCOQLCBSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-17(18(24)20-11-9-14-4-3-10-19-12-14)21-22-23(13)15-5-7-16(25-2)8-6-15/h5-8,14,19H,3-4,9-12H2,1-2H3,(H,20,24).
What are the key properties of 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide?
1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 119555823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).