(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide

C16H25N2O2+ — CID 9249538

IUPAC(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-9-7-14(8-10-15)17-16(19)13(2)18-11-5-4-6-12-18/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyLLQXJBJFYFMERG-CYBMUJFWSA-O
MW277.39 g/mol
LogP1.48
Rot. Bonds5

About (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide

(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide (PubChem CID 9249538) has the molecular formula C16H25N2O2+ and a molecular weight of 277.39 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
PubChem CID9249538
Molecular FormulaC16H25N2O2+
Molecular Weight277.39 g/mol
Exact Mass277.19
IUPAC Name(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-9-7-14(8-10-15)17-16(19)13(2)18-11-5-4-6-12-18/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1
InChIKeyLLQXJBJFYFMERG-CYBMUJFWSA-O
XLogP1.48
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(azocan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9460347
(2R)-N-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274915
(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250047
(2S)-N-(4-phenylmethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 7045428
ethyl (3S)-1-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 9444654
(2R)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 9248304
(2R)-N-phenyl-2-piperidin-1-ium-1-ylpropanamide
CID 7999786
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9494130
(2S)-2-(azepan-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 9267789
ethyl 4-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate
CID 9431116
(2R)-2-bromo-N-(4-ethoxyphenyl)-3-methylbutanamide
CID 7079963
(2R)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-ethylphenyl)propanamide
CID 9357404

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide (CID 9249538) is (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide is CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCC2)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide?
The InChIKey is LLQXJBJFYFMERG-CYBMUJFWSA-O. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-9-7-14(8-10-15)17-16(19)13(2)18-11-5-4-6-12-18/h7-10,13H,3-6,11-12H2,1-2H3,(H,17,19)/p+1/t13-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide?
(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide is sourced from PubChem (CID 9249538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).