N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

C17H29N5O2 — CID 137219186

IUPACN-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1c1n[nH]c(=O)[nH]1)NCCC1CCCCC1
InChIInChI=1S/C17H29N5O2/c23-15(18-10-9-13-6-2-1-3-7-13)12-22-11-5-4-8-14(22)16-19-17(24)21-20-16/h13-14H,1-12H2,(H,18,23)(H2,19,20,21,24)
InChIKeyLWTMCCKSWBYTFI-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.71
Rot. Bonds6

About N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide

N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 137219186) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
PubChem CID137219186
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCCC1c1n[nH]c(=O)[nH]1)NCCC1CCCCC1
InChIInChI=1S/C17H29N5O2/c23-15(18-10-9-13-6-2-1-3-7-13)12-22-11-5-4-8-14(22)16-19-17(24)21-20-16/h13-14H,1-12H2,(H,18,23)(H2,19,20,21,24)
InChIKeyLWTMCCKSWBYTFI-UHFFFAOYSA-N
XLogP1.71
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide (CID 137219186) is N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is O=C(CN1CCCCC1c1n[nH]c(=O)[nH]1)NCCC1CCCCC1.
What is the InChIKey of N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is LWTMCCKSWBYTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c23-15(18-10-9-13-6-2-1-3-7-13)12-22-11-5-4-8-14(22)16-19-17(24)21-20-16/h13-14H,1-12H2,(H,18,23)(H2,19,20,21,24).
What are the key properties of N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide?
N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 335.45 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-2-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 137219186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).