5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride

C20H30ClN5O2 — CID 119556632

IUPAC5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCCNC2)nnn1-c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C20H29N5O2.ClH/c1-14(2)27-18-8-6-17(7-9-18)25-15(3)19(23-24-25)20(26)22-12-10-16-5-4-11-21-13-16;/h6-9,14,16,21H,4-5,10-13H2,1-3H3,(H,22,26);1H
InChIKeyXCJOSTNMICTACS-UHFFFAOYSA-N
MW407.95 g/mol
LogP2.90
Rot. Bonds7

About 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride

5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119556632) has the molecular formula C20H30ClN5O2 and a molecular weight of 407.95 g/mol. Its IUPAC name is 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID119556632
Molecular FormulaC20H30ClN5O2
Molecular Weight407.95 g/mol
Exact Mass407.21
IUPAC Name5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCCC2CCCNC2)nnn1-c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C20H29N5O2.ClH/c1-14(2)27-18-8-6-17(7-9-18)25-15(3)19(23-24-25)20(26)22-12-10-16-5-4-11-21-13-16;/h6-9,14,16,21H,4-5,10-13H2,1-3H3,(H,22,26);1H
InChIKeyXCJOSTNMICTACS-UHFFFAOYSA-N
XLogP2.90
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119461578
1-(4-methoxyphenyl)-5-methyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555823
5-methyl-N-(2-piperazin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119446433
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
5-methyl-N-(2-piperidin-3-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide
CID 119555935
1-(3-bromophenyl)-5-methyl-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide
CID 119534305
5-ethyl-N-piperidin-4-yl-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 119390482
N-(2-piperidin-3-ylethyl)-2-[(4-propan-2-yloxyphenyl)sulfamoyl]acetamide
CID 119556769
[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119561301
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
5-ethyl-N-(3-methylpiperidin-4-yl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120554105
1-(3-chlorophenyl)-5-ethyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide
CID 119555457

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride (CID 119556632) is 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCCC2CCCNC2)nnn1-c1ccc(OC(C)C)cc1.Cl.
What is the InChIKey of 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is XCJOSTNMICTACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2.ClH/c1-14(2)27-18-8-6-17(7-9-18)25-15(3)19(23-24-25)20(26)22-12-10-16-5-4-11-21-13-16;/h6-9,14,16,21H,4-5,10-13H2,1-3H3,(H,22,26);1H.
What are the key properties of 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 407.95 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119556632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).