2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

C15H26N6O2 — CID 50970582

IUPAC2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C15H26N6O2/c1-4-6-20-10-18-19-13(20)9-17-14(22)8-12-15(23)16-5-7-21(12)11(2)3/h10-12H,4-9H2,1-3H3,(H,16,23)(H,17,22)
InChIKeyIABQCQBNAZMLGY-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.10
Rot. Bonds7

About 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 50970582) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID50970582
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC Name2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CC1C(=O)NCCN1C(C)C
InChIInChI=1S/C15H26N6O2/c1-4-6-20-10-18-19-13(20)9-17-14(22)8-12-15(23)16-5-7-21(12)11(2)3/h10-12H,4-9H2,1-3H3,(H,16,23)(H,17,22)
InChIKeyIABQCQBNAZMLGY-UHFFFAOYSA-N
XLogP-0.10
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 50970582) is 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCn1cnnc1CNC(=O)CC1C(=O)NCCN1C(C)C.
What is the InChIKey of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is IABQCQBNAZMLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-4-6-20-10-18-19-13(20)9-17-14(22)8-12-15(23)16-5-7-21(12)11(2)3/h10-12H,4-9H2,1-3H3,(H,16,23)(H,17,22).
What are the key properties of 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of -0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 50970582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).