(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

C17H26N2O2 — CID 9275560

IUPAC(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C)C1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-10-6-5-9-15(16)18-17(20)14(3)19-11-7-8-13(2)12-19/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyAUUSWWRSHSWPGZ-KBPBESRZSA-N
MW290.41 g/mol
LogP3.14
Rot. Bonds5

About (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide

(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (PubChem CID 9275560) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
PubChem CID9275560
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C)C1
InChIInChI=1S/C17H26N2O2/c1-4-21-16-10-6-5-9-15(16)18-17(20)14(3)19-11-7-8-13(2)12-19/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyAUUSWWRSHSWPGZ-KBPBESRZSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-ethoxyphenyl)propanamide
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(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
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CID 75810083
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
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CID 109150085
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 120761100
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide (CID 9275560) is (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is CCOc1ccccc1NC(=O)[C@H](C)N1CCC[C@H](C)C1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
The InChIKey is AUUSWWRSHSWPGZ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-21-16-10-6-5-9-15(16)18-17(20)14(3)19-11-7-8-13(2)12-19/h5-6,9-10,13-14H,4,7-8,11-12H2,1-3H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide?
(2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide is sourced from PubChem (CID 9275560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).