2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide

C16H31N3O2 — CID 71998960

IUPAC2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide
SMILESCCOCC(=O)NCC1(N2CCCCC2)CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-21-13-15(20)17-14-16(7-11-18(2)12-8-16)19-9-5-4-6-10-19/h3-14H2,1-2H3,(H,17,20)
InChIKeyOMFUOUGAUWGSAD-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds6

About 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide

2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 71998960) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide
PubChem CID71998960
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide
SMILESCCOCC(=O)NCC1(N2CCCCC2)CCN(C)CC1
InChIInChI=1S/C16H31N3O2/c1-3-21-13-15(20)17-14-16(7-11-18(2)12-8-16)19-9-5-4-6-10-19/h3-14H2,1-2H3,(H,17,20)
InChIKeyOMFUOUGAUWGSAD-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
ethyl 4-[[N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111497699
2-ethoxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 112699630
4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119139362
3-(ethoxymethyl)-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111997198
1,2-dimethyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111465417
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-3-carboxamide;trihydrochloride
CID 119903563
1-[(3-hydroxyoxolan-3-yl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]urea
CID 136517705
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
CID 112505002
methyl 4-[[N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111992948
2-ethoxy-N-[(1-propylcyclopropyl)methyl]acetamide
CID 103762292
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine
CID 111497947

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide (CID 71998960) is 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide is CCOCC(=O)NCC1(N2CCCCC2)CCN(C)CC1.
What is the InChIKey of 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is OMFUOUGAUWGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-21-13-15(20)17-14-16(7-11-18(2)12-8-16)19-9-5-4-6-10-19/h3-14H2,1-2H3,(H,17,20).
What are the key properties of 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide?
2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71998960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).