N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

C17H28N4O3 — CID 53189313

IUPACN-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCOCCCNC(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-3-24-12-4-8-18-16(22)13-14-6-10-21(11-7-14)15-5-9-19-17(20-15)23-2/h5,9,14H,3-4,6-8,10-13H2,1-2H3,(H,18,22)
InChIKeyFJYJXPVYKHDMFA-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.63
Rot. Bonds9

About N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 53189313) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID53189313
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCOCCCNC(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-3-24-12-4-8-18-16(22)13-14-6-10-21(11-7-14)15-5-9-19-17(20-15)23-2/h5,9,14H,3-4,6-8,10-13H2,1-2H3,(H,18,22)
InChIKeyFJYJXPVYKHDMFA-UHFFFAOYSA-N
XLogP1.63
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (CID 53189313) is N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is CCOCCCNC(=O)CC1CCN(c2ccnc(OC)n2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is FJYJXPVYKHDMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-24-12-4-8-18-16(22)13-14-6-10-21(11-7-14)15-5-9-19-17(20-15)23-2/h5,9,14H,3-4,6-8,10-13H2,1-2H3,(H,18,22).
What are the key properties of N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 336.44 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53189313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).