N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide

C17H26N2O3 — CID 119734944

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCOc2c(C)cccc2C)CCNCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-14(2)15(13)22-12-11-19-16(20)17(21-3)7-9-18-10-8-17/h4-6,18H,7-12H2,1-3H3,(H,19,20)
InChIKeyXYMVYBAJUNUHOS-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119734944) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119734944
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCOc2c(C)cccc2C)CCNCC1
InChIInChI=1S/C17H26N2O3/c1-13-5-4-6-14(2)15(13)22-12-11-19-16(20)17(21-3)7-9-18-10-8-17/h4-6,18H,7-12H2,1-3H3,(H,19,20)
InChIKeyXYMVYBAJUNUHOS-UHFFFAOYSA-N
XLogP1.57
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119735567
N-[3-(benzylamino)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761974
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119786297
N-[3-(1H-indol-3-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119778849
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
CID 119683968

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119734944) is N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCOc2c(C)cccc2C)CCNCC1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is XYMVYBAJUNUHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-4-6-14(2)15(13)22-12-11-19-16(20)17(21-3)7-9-18-10-8-17/h4-6,18H,7-12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119734944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).