5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

C20H28N6O2 — CID 119832019

IUPAC5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(CN3CCOCC3)cc2)nnn1C1CCNCC1
InChIInChI=1S/C20H28N6O2/c1-15-19(23-24-26(15)18-6-8-21-9-7-18)20(27)22-17-4-2-16(3-5-17)14-25-10-12-28-13-11-25/h2-5,18,21H,6-14H2,1H3,(H,22,27)
InChIKeyNXXFNPYLROEHGN-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.60
Rot. Bonds5

About 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119832019) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119832019
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(CN3CCOCC3)cc2)nnn1C1CCNCC1
InChIInChI=1S/C20H28N6O2/c1-15-19(23-24-26(15)18-6-8-21-9-7-18)20(27)22-17-4-2-16(3-5-17)14-25-10-12-28-13-11-25/h2-5,18,21H,6-14H2,1H3,(H,22,27)
InChIKeyNXXFNPYLROEHGN-UHFFFAOYSA-N
XLogP1.60
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670658
5-methyl-N-(4-methylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119694248
N-(3,5-difluorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696872
5-methyl-N-[4-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119759332
N-(3-fluoro-4-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119674362
N-[4-(difluoromethylsulfanyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119668978
N-[4-(cyclohexylmethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119763416
5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
CID 119847239
5-methyl-N-(3-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670413
N-[3-(methoxymethyl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722274
N-[4-(1H-imidazol-2-yl)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 126766931
N-(3-acetylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119673298

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119832019) is 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(CN3CCOCC3)cc2)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NXXFNPYLROEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15-19(23-24-26(15)18-6-8-21-9-7-18)20(27)22-17-4-2-16(3-5-17)14-25-10-12-28-13-11-25/h2-5,18,21H,6-14H2,1H3,(H,22,27).
What are the key properties of 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119832019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).