N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide

C17H25N3O2 — CID 54830445

IUPACN-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCCNC(=O)CNc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-18-16(21)12-19-15-6-4-14(5-7-15)17(22)20-10-8-13(2)9-11-20/h4-7,13,19H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyWPANRWXIQJSYBT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.11
Rot. Bonds5

About N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide

N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide (PubChem CID 54830445) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
PubChem CID54830445
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
SMILESCCNC(=O)CNc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C17H25N3O2/c1-3-18-16(21)12-19-15-6-4-14(5-7-15)17(22)20-10-8-13(2)9-11-20/h4-7,13,19H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyWPANRWXIQJSYBT-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide (CID 54830445) is N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide is CCNC(=O)CNc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
The InChIKey is WPANRWXIQJSYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-18-16(21)12-19-15-6-4-14(5-7-15)17(22)20-10-8-13(2)9-11-20/h4-7,13,19H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide?
N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54830445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).