N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

C16H26N4O2 — CID 53189265

IUPACN,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCN(CC)C(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-4-19(5-2)15(21)12-13-7-10-20(11-8-13)14-6-9-17-16(18-14)22-3/h6,9,13H,4-5,7-8,10-12H2,1-3H3
InChIKeyNKDHOBYKWKNKBE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.96
Rot. Bonds6

About N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide

N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 53189265) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID53189265
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCCN(CC)C(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C16H26N4O2/c1-4-19(5-2)15(21)12-13-7-10-20(11-8-13)14-6-9-17-16(18-14)22-3/h6,9,13H,4-5,7-8,10-12H2,1-3H3
InChIKeyNKDHOBYKWKNKBE-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide (CID 53189265) is N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is CCN(CC)C(=O)CC1CCN(c2ccnc(OC)n2)CC1.
What is the InChIKey of N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is NKDHOBYKWKNKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-4-19(5-2)15(21)12-13-7-10-20(11-8-13)14-6-9-17-16(18-14)22-3/h6,9,13H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide?
N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53189265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).