N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide

C17H25ClN2O — CID 166321620

IUPACN-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCc2cccc(Cl)c2)CC1(C)C
InChIInChI=1S/C17H25ClN2O/c1-13-8-10-20(12-17(13,2)3)16(21)19-9-7-14-5-4-6-15(18)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyLLXGKKISTBEUMA-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.96
Rot. Bonds3

About N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide

N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide (PubChem CID 166321620) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
PubChem CID166321620
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCCc2cccc(Cl)c2)CC1(C)C
InChIInChI=1S/C17H25ClN2O/c1-13-8-10-20(12-17(13,2)3)16(21)19-9-7-14-5-4-6-15(18)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyLLXGKKISTBEUMA-UHFFFAOYSA-N
XLogP3.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide (CID 166321620) is N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide is CC1CCN(C(=O)NCCc2cccc(Cl)c2)CC1(C)C.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide?
The InChIKey is LLXGKKISTBEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13-8-10-20(12-17(13,2)3)16(21)19-9-7-14-5-4-6-15(18)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3,3,4-trimethylpiperidine-1-carboxamide is sourced from PubChem (CID 166321620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).