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

C17H31N5O — CID 72941163

IUPAC2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N5O/c1-5-8-22-17(18-12-19-22)14(4)20-16(23)11-15-6-9-21(10-7-15)13(2)3/h12-15H,5-11H2,1-4H3,(H,20,23)
InChIKeyKCRODSPPXLVDSP-UHFFFAOYSA-N
MW321.47 g/mol
LogP2.38
Rot. Bonds7

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

2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 72941163) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID72941163
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1
InChIInChI=1S/C17H31N5O/c1-5-8-22-17(18-12-19-22)14(4)20-16(23)11-15-6-9-21(10-7-15)13(2)3/h12-15H,5-11H2,1-4H3,(H,20,23)
InChIKeyKCRODSPPXLVDSP-UHFFFAOYSA-N
XLogP2.38
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 72941163) is 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCCn1ncnc1C(C)NC(=O)CC1CCN(C(C)C)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is KCRODSPPXLVDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-5-8-22-17(18-12-19-22)14(4)20-16(23)11-15-6-9-21(10-7-15)13(2)3/h12-15H,5-11H2,1-4H3,(H,20,23).
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 321.47 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)-N-[1-(2-propyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72941163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).