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

C19H28ClN5O2 — CID 119461578

IUPAC5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCNC2)nnn1-c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-13(2)26-17-8-6-16(7-9-17)24-14(3)18(22-23-24)19(25)21-12-15-5-4-10-20-11-15;/h6-9,13,15,20H,4-5,10-12H2,1-3H3,(H,21,25);1H
InChIKeySSELQIOQFCDCCJ-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.51
Rot. Bonds6

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

5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119461578) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
PubChem CID119461578
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NCC2CCCNC2)nnn1-c1ccc(OC(C)C)cc1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-13(2)26-17-8-6-16(7-9-17)24-14(3)18(22-23-24)19(25)21-12-15-5-4-10-20-11-15;/h6-9,13,15,20H,4-5,10-12H2,1-3H3,(H,21,25);1H
InChIKeySSELQIOQFCDCCJ-UHFFFAOYSA-N
XLogP2.51
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-piperidin-3-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119556632
1-(4-methoxyphenyl)-5-methyl-N-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 119460716
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
5-methyl-N-[2-(methylamino)propyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide
CID 120831805
5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 120947162
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone
CID 119622999
2-(5-methyl-1-phenyltriazol-4-yl)-N-(piperidin-3-ylmethyl)acetamide
CID 119462671
[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119561301
N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111460181
1-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;hydrochloride
CID 119463358
[2-(aminomethyl)pyrrolidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
CID 119632254

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride (CID 119461578) is 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NCC2CCCNC2)nnn1-c1ccc(OC(C)C)cc1.Cl.
What is the InChIKey of 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is SSELQIOQFCDCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-13(2)26-17-8-6-16(7-9-17)24-14(3)18(22-23-24)19(25)21-12-15-5-4-10-20-11-15;/h6-9,13,15,20H,4-5,10-12H2,1-3H3,(H,21,25);1H.
What are the key properties of 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride?
5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(piperidin-3-ylmethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119461578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).