N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide

C16H31N3O2 — CID 86826056

IUPACN-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCCN1CCC(NC(=O)CN(C)CC2CCCCO2)CC1
InChIInChI=1S/C16H31N3O2/c1-3-19-9-7-14(8-10-19)17-16(20)13-18(2)12-15-6-4-5-11-21-15/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyIYHYQWLMBAQAJA-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.09
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide

N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide (PubChem CID 86826056) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
PubChem CID86826056
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
SMILESCCN1CCC(NC(=O)CN(C)CC2CCCCO2)CC1
InChIInChI=1S/C16H31N3O2/c1-3-19-9-7-14(8-10-19)17-16(20)13-18(2)12-15-6-4-5-11-21-15/h14-15H,3-13H2,1-2H3,(H,17,20)
InChIKeyIYHYQWLMBAQAJA-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

2-[cyclopentylmethyl(methyl)amino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 86868172
N-(4-methylcyclohexyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825193
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
N-(2-methylbutan-2-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825153
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
CID 124854189
1-ethyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 60694440
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 86908543
2-(1-ethylpiperidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 95124154
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]carbamate
CID 96511062
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
CID 55995840
2-[ethyl(2-hydroxyethyl)amino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 110881299

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide (CID 86826056) is N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide is CCN1CCC(NC(=O)CN(C)CC2CCCCO2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
The InChIKey is IYHYQWLMBAQAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-19-9-7-14(8-10-19)17-16(20)13-18(2)12-15-6-4-5-11-21-15/h14-15H,3-13H2,1-2H3,(H,17,20).
What are the key properties of N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide?
N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]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 N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 86826056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).