N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

C21H30N6O2 — CID 119836424

IUPACN,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2N2CCOCC2)nnn1C1CCNCC1
InChIInChI=1S/C21H30N6O2/c1-16-20(23-24-27(16)18-7-9-22-10-8-18)21(28)25(2)15-17-5-3-4-6-19(17)26-11-13-29-14-12-26/h3-6,18,22H,7-15H2,1-2H3
InChIKeyWHZNDKSQXYYEIW-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.62
Rot. Bonds5

About N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119836424) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119836424
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC NameN,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)Cc2ccccc2N2CCOCC2)nnn1C1CCNCC1
InChIInChI=1S/C21H30N6O2/c1-16-20(23-24-27(16)18-7-9-22-10-8-18)21(28)25(2)15-17-5-3-4-6-19(17)26-11-13-29-14-12-26/h3-6,18,22H,7-15H2,1-2H3
InChIKeyWHZNDKSQXYYEIW-UHFFFAOYSA-N
XLogP1.62
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119681231
N,5-dimethyl-N-(2-phenoxyethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119680833
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494
N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746179
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 39681179
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812798
[4-(2-methylphenyl)piperazin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119831869
N-butyl-N,5-dimethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672305
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]furan-2-carboxamide
CID 38723309
N-benzyl-5-methyl-N-(4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 166228127
4-cyclohexyl-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 55416233
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119836424) is N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)N(C)Cc2ccccc2N2CCOCC2)nnn1C1CCNCC1.
What is the InChIKey of N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is WHZNDKSQXYYEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-16-20(23-24-27(16)18-7-9-22-10-8-18)21(28)25(2)15-17-5-3-4-6-19(17)26-11-13-29-14-12-26/h3-6,18,22H,7-15H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119836424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).