N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide

C17H28N4O2 — CID 53189240

IUPACN-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-4-5-10-20(2)16(22)13-14-7-11-21(12-8-14)15-6-9-18-17(19-15)23-3/h6,9,14H,4-5,7-8,10-13H2,1-3H3
InChIKeyKQENYIONMOZAOI-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.35
Rot. Bonds7

About N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide

N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide (PubChem CID 53189240) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
PubChem CID53189240
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
SMILESCCCCN(C)C(=O)CC1CCN(c2ccnc(OC)n2)CC1
InChIInChI=1S/C17H28N4O2/c1-4-5-10-20(2)16(22)13-14-7-11-21(12-8-14)15-6-9-18-17(19-15)23-3/h6,9,14H,4-5,7-8,10-13H2,1-3H3
InChIKeyKQENYIONMOZAOI-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide (CID 53189240) is N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide is CCCCN(C)C(=O)CC1CCN(c2ccnc(OC)n2)CC1.
What is the InChIKey of N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is KQENYIONMOZAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-5-10-20(2)16(22)13-14-7-11-21(12-8-14)15-6-9-18-17(19-15)23-3/h6,9,14H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide?
N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 320.44 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 53189240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).