2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C18H23Cl2N5O — CID 166329214

IUPAC2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)Cn2cc(-c3cc(Cl)cc(Cl)c3)nn2)CC1
InChIInChI=1S/C18H23Cl2N5O/c1-12(2)24-5-3-16(4-6-24)21-18(26)11-25-10-17(22-23-25)13-7-14(19)9-15(20)8-13/h7-10,12,16H,3-6,11H2,1-2H3,(H,21,26)
InChIKeyVRKWHJVJYUVGAF-UHFFFAOYSA-N
MW396.32 g/mol
LogP3.24
Rot. Bonds5

About 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 166329214) has the molecular formula C18H23Cl2N5O and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID166329214
Molecular FormulaC18H23Cl2N5O
Molecular Weight396.32 g/mol
Exact Mass395.13
IUPAC Name2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)Cn2cc(-c3cc(Cl)cc(Cl)c3)nn2)CC1
InChIInChI=1S/C18H23Cl2N5O/c1-12(2)24-5-3-16(4-6-24)21-18(26)11-25-10-17(22-23-25)13-7-14(19)9-15(20)8-13/h7-10,12,16H,3-6,11H2,1-2H3,(H,21,26)
InChIKeyVRKWHJVJYUVGAF-UHFFFAOYSA-N
XLogP3.24
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide
CID 166251333
2-[4-(4-amino-3-methylphenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 166314729
2-[4-(6-amino-3-pyridinyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 166329215
1-[2-(cyclohexylamino)-2-oxoethyl]triazole-4-carboxylic acid
CID 55134032
2-[4-(1-aminoethyl)triazol-1-yl]-N-cyclohexylacetamide
CID 114420022
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
3-(4-chlorophenyl)sulfanyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 51203757
2-(4-methylpiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 157336758
2-[4-[[2-[4-(aminomethyl)triazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 115459189
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,5-dichlorophenyl)propanamide
CID 30740405
2-[4-[(3-chlorophenyl)methyl]triazol-1-yl]-N-piperidin-4-ylacetamide
CID 167753873
1-[2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288901

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 166329214) is 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(NC(=O)Cn2cc(-c3cc(Cl)cc(Cl)c3)nn2)CC1.
What is the InChIKey of 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is VRKWHJVJYUVGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N5O/c1-12(2)24-5-3-16(4-6-24)21-18(26)11-25-10-17(22-23-25)13-7-14(19)9-15(20)8-13/h7-10,12,16H,3-6,11H2,1-2H3,(H,21,26).
What are the key properties of 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 396.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dichlorophenyl)triazol-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 166329214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).