2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide

C13H27N3O2 — CID 55257781

IUPAC2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOCCNCC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-15(2)13(17)11-16-7-4-12(5-8-16)10-14-6-9-18-3/h12,14H,4-11H2,1-3H3
InChIKeyFZEQQOXJKCLYOT-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.02
Rot. Bonds7

About 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 55257781) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID55257781
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCOCCNCC1CCN(CC(=O)N(C)C)CC1
InChIInChI=1S/C13H27N3O2/c1-15(2)13(17)11-16-7-4-12(5-8-16)10-14-6-9-18-3/h12,14H,4-11H2,1-3H3
InChIKeyFZEQQOXJKCLYOT-UHFFFAOYSA-N
XLogP0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849787
N-ethyl-2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]acetamide
CID 63847405
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylbutanamide
CID 63847458
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylpropanamide
CID 63848445
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine
CID 62591708
2-methoxy-N-[(1-methylazetidin-3-yl)methyl]ethanamine
CID 134180077
2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 55257781) is 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide is COCCNCC1CCN(CC(=O)N(C)C)CC1.
What is the InChIKey of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is FZEQQOXJKCLYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-15(2)13(17)11-16-7-4-12(5-8-16)10-14-6-9-18-3/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 257.38 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 55257781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).