argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate

C17H26ArN2O3 — CID 158679002

IUPACargon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate
SMILESCCNC(=O)C1CCCN(c2ccccc2)C1.COC(C)=O.[Ar]
InChIInChI=1S/C14H20N2O.C3H6O2.Ar/c1-2-15-14(17)12-7-6-10-16(11-12)13-8-4-3-5-9-13;1-3(4)5-2;/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,15,17);1-2H3;
InChIKeyIEWMYEBBIDLJSU-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.22
Rot. Bonds3

About argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate

argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate (PubChem CID 158679002) has the molecular formula C17H26ArN2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate.

Molecular Properties

Compound Nameargon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate
PubChem CID158679002
Molecular FormulaC17H26ArN2O3
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Nameargon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate
SMILESCCNC(=O)C1CCCN(c2ccccc2)C1.COC(C)=O.[Ar]
InChIInChI=1S/C14H20N2O.C3H6O2.Ar/c1-2-15-14(17)12-7-6-10-16(11-12)13-8-4-3-5-9-13;1-3(4)5-2;/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,15,17);1-2H3;
InChIKeyIEWMYEBBIDLJSU-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate?
The IUPAC name of argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate (CID 158679002) is argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate.
What is the SMILES notation for argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate?
The canonical SMILES for argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate is CCNC(=O)C1CCCN(c2ccccc2)C1.COC(C)=O.[Ar].
What is the InChIKey of argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate?
The InChIKey is IEWMYEBBIDLJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C3H6O2.Ar/c1-2-15-14(17)12-7-6-10-16(11-12)13-8-4-3-5-9-13;1-3(4)5-2;/h3-5,8-9,12H,2,6-7,10-11H2,1H3,(H,15,17);1-2H3;.
What are the key properties of argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate?
argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate has a molecular weight of 346.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for argon;N-ethyl-1-phenylpiperidine-3-carboxamide;methyl acetate is sourced from PubChem (CID 158679002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).