N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H22ClN5O2 — CID 119808220

IUPACN-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cc(Cl)ccc1NC(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C17H22ClN5O2/c1-3-25-15-10-12(18)4-5-14(15)20-17(24)16-11(2)23(22-21-16)13-6-8-19-9-7-13/h4-5,10,13,19H,3,6-9H2,1-2H3,(H,20,24)
InChIKeyDWHJCGQYCVBTOO-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.82
Rot. Bonds5

About N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119808220) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119808220
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1cc(Cl)ccc1NC(=O)c1nnn(C2CCNCC2)c1C
InChIInChI=1S/C17H22ClN5O2/c1-3-25-15-10-12(18)4-5-14(15)20-17(24)16-11(2)23(22-21-16)13-6-8-19-9-7-13/h4-5,10,13,19H,3,6-9H2,1-2H3,(H,20,24)
InChIKeyDWHJCGQYCVBTOO-UHFFFAOYSA-N
XLogP2.82
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675634
N-(2-acetamido-4-chlorophenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119760851
N-[5-chloro-2-(cyclopropylamino)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119856720
N-(3-ethoxy-4-methoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119717648
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119679218
5-methyl-1-piperidin-4-yl-N-(2,4,5-trifluorophenyl)triazole-4-carboxamide
CID 119708593
N-(3-methoxy-2,4-dimethylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119728769
N-[2-(2,2-difluoroethoxy)phenyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119814462
N-(5-bromo-2-methylphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705929
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119680434
5-methyl-N-[2-(3-methylphenoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680433
N-[2-(3-chlorophenoxy)propyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119807099

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119808220) is N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCOc1cc(Cl)ccc1NC(=O)c1nnn(C2CCNCC2)c1C.
What is the InChIKey of N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is DWHJCGQYCVBTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c1-3-25-15-10-12(18)4-5-14(15)20-17(24)16-11(2)23(22-21-16)13-6-8-19-9-7-13/h4-5,10,13,19H,3,6-9H2,1-2H3,(H,20,24).
What are the key properties of N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-ethoxyphenyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119808220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).