(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide

C17H26N3O2+ — CID 8557661

IUPAC(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C)CC1
InChIInChI=1S/C17H25N3O2/c1-3-18-17(22)19-16(21)15(14-7-5-4-6-8-14)20-11-9-13(2)10-12-20/h4-8,13,15H,3,9-12H2,1-2H3,(H2,18,19,21,22)/p+1/t15-/m1/s1
InChIKeyPZLJWCUSCNGNAC-OAHLLOKOSA-O
MW304.41 g/mol
LogP0.89
Rot. Bonds4

About (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide

(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide (PubChem CID 8557661) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
PubChem CID8557661
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide
SMILESCCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C)CC1
InChIInChI=1S/C17H25N3O2/c1-3-18-17(22)19-16(21)15(14-7-5-4-6-8-14)20-11-9-13(2)10-12-20/h4-8,13,15H,3,9-12H2,1-2H3,(H2,18,19,21,22)/p+1/t15-/m1/s1
InChIKeyPZLJWCUSCNGNAC-OAHLLOKOSA-O
XLogP0.89
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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cyclo(L-leucyl-L-phenylalanyl)
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6-Phenyl-1,3-diazinane-2,4-dione
CID 239233
Methetoin
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6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
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Cyclo(-Gly-Phe)
CID 7076549
Leucyl-phenylalanine amide
CID 3082491
2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide (CID 8557661) is (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide is CCNC(=O)NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C)CC1.
What is the InChIKey of (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
The InChIKey is PZLJWCUSCNGNAC-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-3-18-17(22)19-16(21)15(14-7-5-4-6-8-14)20-11-9-13(2)10-12-20/h4-8,13,15H,3,9-12H2,1-2H3,(H2,18,19,21,22)/p+1/t15-/m1/s1.
What are the key properties of (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide?
(2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide has a molecular weight of 304.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetamide is sourced from PubChem (CID 8557661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).