(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide

C16H27N3O2+2 — CID 9250047

IUPAC(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-4-21-15-7-5-14(6-8-15)17-16(20)13(2)19-11-9-18(3)10-12-19/h5-8,13H,4,9-12H2,1-3H3,(H,17,20)/p+2/t13-/m1/s1
InChIKeyJDFFFSPLTZQVFG-CYBMUJFWSA-P
MW293.41 g/mol
LogP-1.17
Rot. Bonds5

About (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide

(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide (PubChem CID 9250047) has the molecular formula C16H27N3O2+2 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
PubChem CID9250047
Molecular FormulaC16H27N3O2+2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
SMILESCCOc1ccc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-4-21-15-7-5-14(6-8-15)17-16(20)13(2)19-11-9-18(3)10-12-19/h5-8,13H,4,9-12H2,1-3H3,(H,17,20)/p+2/t13-/m1/s1
InChIKeyJDFFFSPLTZQVFG-CYBMUJFWSA-P
XLogP-1.17
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(4-ethoxyphenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
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(2S)-2-(azocan-1-ium-1-yl)-N-(4-ethoxyphenyl)propanamide
CID 9460347
(2R)-N-(4-ethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249538
(2S)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 8896302
(2R)-N-(4-ethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide
CID 9248304
(2R)-N-(4-acetylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
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N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
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(2S)-N-(4-phenylmethoxyphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 7045428
(2R)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)propanamide
CID 9494130
ethyl (3S)-1-[(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 9444654
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
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The IUPAC name of (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide (CID 9250047) is (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide is CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)cc1.
What is the InChIKey of (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
The InChIKey is JDFFFSPLTZQVFG-CYBMUJFWSA-P. The full InChI is InChI=1S/C16H25N3O2/c1-4-21-15-7-5-14(6-8-15)17-16(20)13(2)19-11-9-18(3)10-12-19/h5-8,13H,4,9-12H2,1-3H3,(H,17,20)/p+2/t13-/m1/s1.
What are the key properties of (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide?
(2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of -1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide is sourced from PubChem (CID 9250047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).