(4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone

C15H17Cl2N5O — CID 119376894

IUPAC(4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
SMILESCc1nc(C(=O)N2CCC(N)CC2)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2N5O/c1-9-19-14(15(23)21-7-5-10(18)6-8-21)20-22(9)13-11(16)3-2-4-12(13)17/h2-4,10H,5-8,18H2,1H3
InChIKeyBIYRXKOTAOFVNM-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.45
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone

(4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone (PubChem CID 119376894) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
PubChem CID119376894
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name(4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
SMILESCc1nc(C(=O)N2CCC(N)CC2)nn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H17Cl2N5O/c1-9-19-14(15(23)21-7-5-10(18)6-8-21)20-22(9)13-11(16)3-2-4-12(13)17/h2-4,10H,5-8,18H2,1H3
InChIKeyBIYRXKOTAOFVNM-UHFFFAOYSA-N
XLogP2.45
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 119413479
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]methanone
CID 119410071
[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493814
(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanone;hydrochloride
CID 119375282
(4-aminopiperidin-1-yl)-[1-(2-chlorophenyl)-5-propyl-1,2,4-triazol-3-yl]methanone
CID 119376351
[1-(2,6-dichlorophenyl)-5-ethyl-1,2,4-triazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560575
[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958964
N-(2-aminoethyl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119385538
N-[2-(aminomethyl)cyclohexyl]-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119612506
1-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-2,2a,3,4-tetrahydrobenzo[cd]indol-5-one
CID 167871523
1-(2,6-dichlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2,4-triazole-3-carboxamide;hydrochloride
CID 119464610
N-(1-amino-2-methylpropan-2-yl)-1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
CID 119525130

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone (CID 119376894) is (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone is Cc1nc(C(=O)N2CCC(N)CC2)nn1-c1c(Cl)cccc1Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone?
The InChIKey is BIYRXKOTAOFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c1-9-19-14(15(23)21-7-5-10(18)6-8-21)20-22(9)13-11(16)3-2-4-12(13)17/h2-4,10H,5-8,18H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone has a molecular weight of 354.24 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 119376894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).