N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide

C18H29N7O — CID 166251333

IUPACN-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide
SMILESCC(C)N1CCC(NC(=O)Cn2cc(-c3cnn(C(C)C)c3)nn2)CC1
InChIInChI=1S/C18H29N7O/c1-13(2)23-7-5-16(6-8-23)20-18(26)12-24-11-17(21-22-24)15-9-19-25(10-15)14(3)4/h9-11,13-14,16H,5-8,12H2,1-4H3,(H,20,26)
InChIKeyLGUXGTVNIMMILQ-UHFFFAOYSA-N
MW359.48 g/mol
LogP1.71
Rot. Bonds6

About N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide

N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide (PubChem CID 166251333) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide
PubChem CID166251333
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide
SMILESCC(C)N1CCC(NC(=O)Cn2cc(-c3cnn(C(C)C)c3)nn2)CC1
InChIInChI=1S/C18H29N7O/c1-13(2)23-7-5-16(6-8-23)20-18(26)12-24-11-17(21-22-24)15-9-19-25(10-15)14(3)4/h9-11,13-14,16H,5-8,12H2,1-4H3,(H,20,26)
InChIKeyLGUXGTVNIMMILQ-UHFFFAOYSA-N
XLogP1.71
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide (CID 166251333) is N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide is CC(C)N1CCC(NC(=O)Cn2cc(-c3cnn(C(C)C)c3)nn2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide?
The InChIKey is LGUXGTVNIMMILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-13(2)23-7-5-16(6-8-23)20-18(26)12-24-11-17(21-22-24)15-9-19-25(10-15)14(3)4/h9-11,13-14,16H,5-8,12H2,1-4H3,(H,20,26).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide?
N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide has a molecular weight of 359.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)-2-[4-(1-propan-2-ylpyrazol-4-yl)triazol-1-yl]acetamide is sourced from PubChem (CID 166251333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).