2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide

C17H27N5O2 — CID 72845936

IUPAC2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1C1CCCCN1C(=O)C1CC1
InChIInChI=1S/C17H27N5O2/c1-2-3-10-22-16(19-15(20-22)11-14(18)23)13-6-4-5-9-21(13)17(24)12-7-8-12/h12-13H,2-11H2,1H3,(H2,18,23)
InChIKeyBUOATNJBSSNGDM-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.57
Rot. Bonds7

About 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide

2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide (PubChem CID 72845936) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide
PubChem CID72845936
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide
SMILESCCCCn1nc(CC(N)=O)nc1C1CCCCN1C(=O)C1CC1
InChIInChI=1S/C17H27N5O2/c1-2-3-10-22-16(19-15(20-22)11-14(18)23)13-6-4-5-9-21(13)17(24)12-7-8-12/h12-13H,2-11H2,1H3,(H2,18,23)
InChIKeyBUOATNJBSSNGDM-UHFFFAOYSA-N
XLogP1.57
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide (CID 72845936) is 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide is CCCCn1nc(CC(N)=O)nc1C1CCCCN1C(=O)C1CC1.
What is the InChIKey of 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide?
The InChIKey is BUOATNJBSSNGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-3-10-22-16(19-15(20-22)11-14(18)23)13-6-4-5-9-21(13)17(24)12-7-8-12/h12-13H,2-11H2,1H3,(H2,18,23).
What are the key properties of 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide?
2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-butyl-5-[1-(cyclopropanecarbonyl)piperidin-2-yl]-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 72845936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).