2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide

C17H28N4O2 — CID 131931704

IUPAC2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCOCCc1ncc(CN2CCC(CC(=O)N(C)C)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-20(2)17(22)10-14-4-7-21(8-5-14)13-15-11-18-16(19-12-15)6-9-23-3/h11-12,14H,4-10,13H2,1-3H3
InChIKeyYSZRLBXFKXMCMG-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.36
Rot. Bonds7

About 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide

2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide (PubChem CID 131931704) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
PubChem CID131931704
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide
SMILESCOCCc1ncc(CN2CCC(CC(=O)N(C)C)CC2)cn1
InChIInChI=1S/C17H28N4O2/c1-20(2)17(22)10-14-4-7-21(8-5-14)13-15-11-18-16(19-12-15)6-9-23-3/h11-12,14H,4-10,13H2,1-3H3
InChIKeyYSZRLBXFKXMCMG-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide (CID 131931704) is 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide is COCCc1ncc(CN2CCC(CC(=O)N(C)C)CC2)cn1.
What is the InChIKey of 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
The InChIKey is YSZRLBXFKXMCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-20(2)17(22)10-14-4-7-21(8-5-14)13-15-11-18-16(19-12-15)6-9-23-3/h11-12,14H,4-10,13H2,1-3H3.
What are the key properties of 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide?
2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide has a molecular weight of 320.44 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 131931704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).