N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride

C17H27ClN2O2 — CID 119295995

IUPACN-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(OCCNC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(2)14-6-8-15(9-7-14)21-12-11-19-17(20)16-5-3-4-10-18-16;/h6-9,13,16,18H,3-5,10-12H2,1-2H3,(H,19,20);1H
InChIKeyQVXJBBCMOXWZLZ-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride

N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119295995) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119295995
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)c1ccc(OCCNC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(2)14-6-8-15(9-7-14)21-12-11-19-17(20)16-5-3-4-10-18-16;/h6-9,13,16,18H,3-5,10-12H2,1-2H3,(H,19,20);1H
InChIKeyQVXJBBCMOXWZLZ-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-(2-phenoxyethyl)azepane-2-carboxamide
CID 64562494
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
(2R)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848309
N-[4-(2-methoxyethoxy)phenyl]piperidine-2-carboxamide
CID 43713427

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride (CID 119295995) is N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride is CC(C)c1ccc(OCCNC(=O)C2CCCCN2)cc1.Cl.
What is the InChIKey of N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is QVXJBBCMOXWZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13(2)14-6-8-15(9-7-14)21-12-11-19-17(20)16-5-3-4-10-18-16;/h6-9,13,16,18H,3-5,10-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride?
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119295995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).