(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide

C17H26N2O2 — CID 81126354

IUPAC(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-13-9-14(2)11-16(10-13)21-8-7-19(3)17(20)15-5-4-6-18-12-15/h9-11,15,18H,4-8,12H2,1-3H3/t15-/m0/s1
InChIKeyXWJCXPIASDMQSA-HNNXBMFYSA-N
MW290.41 g/mol
LogP2.14
Rot. Bonds5

About (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide

(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 81126354) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID81126354
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCc1cc(C)cc(OCCN(C)C(=O)[C@H]2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-13-9-14(2)11-16(10-13)21-8-7-19(3)17(20)15-5-4-6-18-12-15/h9-11,15,18H,4-8,12H2,1-3H3/t15-/m0/s1
InChIKeyXWJCXPIASDMQSA-HNNXBMFYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 119294067
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
(3R)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81129858
N-[3-(3,5-dimethoxyphenoxy)propyl]-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119820838
cis-(1S,3R)-3-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 97123264
N-methyl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 81055489
N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 50988968
2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
CID 116676227
N-(3,5-dimethylphenyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119300463
N-methyl-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 82132898
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119340577

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide (CID 81126354) is (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide is Cc1cc(C)cc(OCCN(C)C(=O)[C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is XWJCXPIASDMQSA-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-9-14(2)11-16(10-13)21-8-7-19(3)17(20)15-5-4-6-18-12-15/h9-11,15,18H,4-8,12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide?
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 81126354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).