2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide

C17H24N2O4 — CID 95293638

IUPAC2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
SMILESCOCCOc1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1
InChIInChI=1S/C17H24N2O4/c1-22-9-10-23-15-7-4-5-13(11-15)17(21)19-8-3-2-6-14(19)12-16(18)20/h4-5,7,11,14H,2-3,6,8-10,12H2,1H3,(H2,18,20)/t14-/m0/s1
InChIKeyAVNRMBFXHSKBLG-AWEZNQCLSA-N
MW320.39 g/mol
LogP1.58
Rot. Bonds7

About 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide

2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide (PubChem CID 95293638) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
PubChem CID95293638
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
SMILESCOCCOc1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1
InChIInChI=1S/C17H24N2O4/c1-22-9-10-23-15-7-4-5-13(11-15)17(21)19-8-3-2-6-14(19)12-16(18)20/h4-5,7,11,14H,2-3,6,8-10,12H2,1H3,(H2,18,20)/t14-/m0/s1
InChIKeyAVNRMBFXHSKBLG-AWEZNQCLSA-N
XLogP1.58
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.58
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

3-amino-N-[[1-[3-(3-methoxypropoxy)benzoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579872
[(2R)-1-(3-methoxybenzoyl)piperidin-2-yl]methylurea
CID 95306637
[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
CID 40776096
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
2-[(2R)-1-[3-(3,4-dimethylphenoxy)propanoyl]piperidin-2-yl]acetamide
CID 52811665
[(2S)-2-ethylpiperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 95875592

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide (CID 95293638) is 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide is COCCOc1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1.
What is the InChIKey of 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide?
The InChIKey is AVNRMBFXHSKBLG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-9-10-23-15-7-4-5-13(11-15)17(21)19-8-3-2-6-14(19)12-16(18)20/h4-5,7,11,14H,2-3,6,8-10,12H2,1H3,(H2,18,20)/t14-/m0/s1.
What are the key properties of 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide?
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 95293638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).