N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide

C16H23ClN2O2 — CID 112976866

IUPACN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(Cl)c(OCCNC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-5-6-14(17)15(10-12)21-9-7-18-16(20)19-8-3-4-13(2)11-19/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyKPUOWEHVGQDRBJ-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.47
Rot. Bonds4

About N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide

N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide (PubChem CID 112976866) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
PubChem CID112976866
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(Cl)c(OCCNC(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H23ClN2O2/c1-12-5-6-14(17)15(10-12)21-9-7-18-16(20)19-8-3-4-13(2)11-19/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,18,20)
InChIKeyKPUOWEHVGQDRBJ-UHFFFAOYSA-N
XLogP3.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxy-4-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide
CID 112975321
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112976841
(3R)-1-[3-(2-chloro-5-methylphenoxy)propyl]-3-methylpiperidine
CID 2181266
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
CID 112976796
3-amino-N-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 131911189
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 112976964
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
2-(2-chloro-5-methylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390761
N-[3-(4-bromo-2-chlorophenoxy)propyl]-4-methylpiperidine-1-carboxamide
CID 108882317
ethyl 1-[3-(2-chlorophenoxy)propylcarbamoyl]piperidine-3-carboxylate
CID 108883477

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide (CID 112976866) is N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide is Cc1ccc(Cl)c(OCCNC(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is KPUOWEHVGQDRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-12-5-6-14(17)15(10-12)21-9-7-18-16(20)19-8-3-4-13(2)11-19/h5-6,10,13H,3-4,7-9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide?
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 310.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 112976866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).