5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C22H25N5O2 — CID 119680434

IUPAC5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C22H25N5O2/c1-15-6-5-7-18(14-15)29-20-9-4-3-8-19(20)24-22(28)21-16(2)27(26-25-21)17-10-12-23-13-11-17/h3-9,14,17,23H,10-13H2,1-2H3,(H,24,28)
InChIKeyOIYSZHDDTICMBO-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.86
Rot. Bonds5

About 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119680434) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119680434
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)c2nnn(C3CCNCC3)c2C)c1
InChIInChI=1S/C22H25N5O2/c1-15-6-5-7-18(14-15)29-20-9-4-3-8-19(20)24-22(28)21-16(2)27(26-25-21)17-10-12-23-13-11-17/h3-9,14,17,23H,10-13H2,1-2H3,(H,24,28)
InChIKeyOIYSZHDDTICMBO-UHFFFAOYSA-N
XLogP3.86
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680433
5-methyl-N-(5-methyl-2-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119808194
N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[2-(2,2-difluoroethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119814462
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
5-methyl-1-piperidin-4-yl-N-(3-propoxyphenyl)triazole-4-carboxamide
CID 119714993
1-(4-methoxyphenyl)-5-methyl-N-[2-(3-methylphenoxy)phenyl]triazole-4-carboxamide
CID 112821996
5-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119864468
5-methyl-1-piperidin-4-yl-N-(2-pyrazol-1-ylphenyl)triazole-4-carboxamide;hydrochloride
CID 119399997
N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119808220
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119680434) is 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1cccc(Oc2ccccc2NC(=O)c2nnn(C3CCNCC3)c2C)c1.
What is the InChIKey of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is OIYSZHDDTICMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-6-5-7-18(14-15)29-20-9-4-3-8-19(20)24-22(28)21-16(2)27(26-25-21)17-10-12-23-13-11-17/h3-9,14,17,23H,10-13H2,1-2H3,(H,24,28).
What are the key properties of 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119680434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).