5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide

C19H27N5O2 — CID 119390482

IUPAC5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCNCC2)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H27N5O2/c1-4-17-18(19(25)21-14-9-11-20-12-10-14)22-23-24(17)15-5-7-16(8-6-15)26-13(2)3/h5-8,13-14,20H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyWWWKXCHKBLXBHA-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.10
Rot. Bonds6

About 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide

5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide (PubChem CID 119390482) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
PubChem CID119390482
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCNCC2)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H27N5O2/c1-4-17-18(19(25)21-14-9-11-20-12-10-14)22-23-24(17)15-5-7-16(8-6-15)26-13(2)3/h5-8,13-14,20H,4,9-12H2,1-3H3,(H,21,25)
InChIKeyWWWKXCHKBLXBHA-UHFFFAOYSA-N
XLogP2.10
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120554105
N-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
N-[2-(aminomethyl)cyclopentyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119605319
5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 120947162
N-[2-(4-aminophenyl)ethyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119549755
(4-aminopiperidin-1-yl)-[5-ethyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119376951
N-(1-aminohexan-2-yl)-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119668831
2-[[5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]-methylamino]acetic acid
CID 119346326
5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119556632
4-[5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]-3-methyl-1,4-diazepan-2-one
CID 126804137
[5-ethyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119542458
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119424738

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide (CID 119390482) is 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide is CCc1c(C(=O)NC2CCNCC2)nnn1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The InChIKey is WWWKXCHKBLXBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-17-18(19(25)21-14-9-11-20-12-10-14)22-23-24(17)15-5-7-16(8-6-15)26-13(2)3/h5-8,13-14,20H,4,9-12H2,1-3H3,(H,21,25).
What are the key properties of 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 119390482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).