2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

C14H28N2O3 — CID 94871554

IUPAC2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCOCCN(CCOC)CC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H28N2O3/c1-13-6-4-5-7-16(13)14(17)12-15(8-10-18-2)9-11-19-3/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyVKFCWAQALLSTST-ZDUSSCGKSA-N
MW272.39 g/mol
LogP0.98
Rot. Bonds8

About 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone

2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (PubChem CID 94871554) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
PubChem CID94871554
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
SMILESCOCCN(CCOC)CC(=O)N1CCCC[C@@H]1C
InChIInChI=1S/C14H28N2O3/c1-13-6-4-5-7-16(13)14(17)12-15(8-10-18-2)9-11-19-3/h13H,4-12H2,1-3H3/t13-/m0/s1
InChIKeyVKFCWAQALLSTST-ZDUSSCGKSA-N
XLogP0.98
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-Ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53596202
1-(Azetidin-1-yl)-2-[4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 53609242
1-(Azetidin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 53609826
2-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610261
2-[3-Ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610274
4-(2-Methoxyethyl)-6,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 75374977
N-cyclohexyl-2-(2-morpholin-4-ylethylamino)propanamide
CID 3226810
2-[Cyclohexyl(methyl)amino]-1-morpholin-4-ylethanone
CID 47006665
2-[cyclohexyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47006248
2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
1-(2,6-Dimethylpiperidin-1-yl)-2-[2-hydroxyethyl(methyl)amino]ethanone
CID 56828369
2-((2-Hydroxyethyl)(methyl)amino)-1-(2-methylpiperidin-1-yl)ethan-1-one
CID 60683912

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone (CID 94871554) is 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is COCCN(CCOC)CC(=O)N1CCCC[C@@H]1C.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is VKFCWAQALLSTST-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13-6-4-5-7-16(13)14(17)12-15(8-10-18-2)9-11-19-3/h13H,4-12H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone?
2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 272.39 g/mol, XLogP of 0.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 94871554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).