N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide

C18H29N5O3 — CID 110259590

IUPACN-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCOCC(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1
InChIInChI=1S/C18H29N5O3/c1-13(24)22(4)11-14-10-16(21(2)3)20-18(19-14)15-8-6-7-9-23(15)17(25)12-26-5/h10,15H,6-9,11-12H2,1-5H3
InChIKeyHTQFNMBYMNUUSD-UHFFFAOYSA-N
MW363.46 g/mol
LogP1.22
Rot. Bonds6

About N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide

N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide (PubChem CID 110259590) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
PubChem CID110259590
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC NameN-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide
SMILESCOCC(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1
InChIInChI=1S/C18H29N5O3/c1-13(24)22(4)11-14-10-16(21(2)3)20-18(19-14)15-8-6-7-9-23(15)17(25)12-26-5/h10,15H,6-9,11-12H2,1-5H3
InChIKeyHTQFNMBYMNUUSD-UHFFFAOYSA-N
XLogP1.22
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide (CID 110259590) is N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide is COCC(=O)N1CCCCC1c1nc(CN(C)C(C)=O)cc(N(C)C)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
The InChIKey is HTQFNMBYMNUUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-13(24)22(4)11-14-10-16(21(2)3)20-18(19-14)15-8-6-7-9-23(15)17(25)12-26-5/h10,15H,6-9,11-12H2,1-5H3.
What are the key properties of N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide?
N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide has a molecular weight of 363.46 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-[1-(2-methoxyacetyl)piperidin-2-yl]pyrimidin-4-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 110259590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).