5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide

C20H29N5O2 — CID 120554105

IUPAC5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCNCC2C)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H29N5O2/c1-5-18-19(20(26)22-17-10-11-21-12-14(17)4)23-24-25(18)15-6-8-16(9-7-15)27-13(2)3/h6-9,13-14,17,21H,5,10-12H2,1-4H3,(H,22,26)
InChIKeyXXMJPJZPRQOIGC-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.34
Rot. Bonds6

About 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide

5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide (PubChem CID 120554105) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
PubChem CID120554105
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
SMILESCCc1c(C(=O)NC2CCNCC2C)nnn1-c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H29N5O2/c1-5-18-19(20(26)22-17-10-11-21-12-14(17)4)23-24-25(18)15-6-8-16(9-7-15)27-13(2)3/h6-9,13-14,17,21H,5,10-12H2,1-4H3,(H,22,26)
InChIKeyXXMJPJZPRQOIGC-UHFFFAOYSA-N
XLogP2.34
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119390482
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-cyclohexyl-1-[4-(difluoromethoxy)phenyl]-5-ethyltriazole-4-carboxamide
CID 16654299
(4-aminopiperidin-1-yl)-[5-ethyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119376951
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
N-[2-(4-aminophenyl)ethyl]-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119549755
N-(1-aminohexan-2-yl)-5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119668831
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119461578
2-[[5-ethyl-1-(4-propan-2-yloxyphenyl)triazole-4-carbonyl]-methylamino]acetic acid
CID 119346326
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120556314

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide (CID 120554105) is 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide is CCc1c(C(=O)NC2CCNCC2C)nnn1-c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
The InChIKey is XXMJPJZPRQOIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-18-19(20(26)22-17-10-11-21-12-14(17)4)23-24-25(18)15-6-8-16(9-7-15)27-13(2)3/h6-9,13-14,17,21H,5,10-12H2,1-4H3,(H,22,26).
What are the key properties of 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide?
5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 120554105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).