N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide

C17H26N2O2 — CID 108901943

IUPACN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-5-4-6-14(2)19(13)17(20)18-12-11-15-7-9-16(21-3)10-8-15/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyODNLTSTVIVPQSD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide (PubChem CID 108901943) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
PubChem CID108901943
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
SMILESCOc1ccc(CCNC(=O)N2C(C)CCCC2C)cc1
InChIInChI=1S/C17H26N2O2/c1-13-5-4-6-14(2)19(13)17(20)18-12-11-15-7-9-16(21-3)10-8-15/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20)
InChIKeyODNLTSTVIVPQSD-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 111427687
4-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103421
3-(methoxymethyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-1-carboxamide
CID 90505512
2-amino-N-[2-(4-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 64817742
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 43082252
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
N-[3-(3,4-dimethoxyphenyl)propyl]-2,5-dimethylpyrrolidine-1-carboxamide
CID 136514338
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
3-cyclopropyl-N-[2-(4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 158233978
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
4-(cyclohexylmethyl)-N-[2-(4-methoxyphenyl)ethyl]-1,4-diazepane-1-carboxamide
CID 55913020
(3R)-3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]azepane-1-carboxamide
CID 99903053

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide (CID 108901943) is N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide is COc1ccc(CCNC(=O)N2C(C)CCCC2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide?
The InChIKey is ODNLTSTVIVPQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-5-4-6-14(2)19(13)17(20)18-12-11-15-7-9-16(21-3)10-8-15/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 108901943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).