N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide

C17H26N2O2 — CID 62675082

IUPACN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
SMILESCc1cccc(OCCN(C)C(=O)CC2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-3-7-16(11-14)21-10-9-19(2)17(20)12-15-6-4-8-18-13-15/h3,5,7,11,15,18H,4,6,8-10,12-13H2,1-2H3
InChIKeyHHZOBAIHOIAAEV-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.22
Rot. Bonds6

About N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide

N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide (PubChem CID 62675082) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
PubChem CID62675082
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide
SMILESCc1cccc(OCCN(C)C(=O)CC2CCCNC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-3-7-16(11-14)21-10-9-19(2)17(20)12-15-6-4-8-18-13-15/h3,5,7,11,15,18H,4,6,8-10,12-13H2,1-2H3
InChIKeyHHZOBAIHOIAAEV-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylphenoxy)-N-(piperidin-3-ylmethyl)butanamide
CID 119461960
2-(cyclopropylamino)-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 54872517
N-(2-methoxyethyl)-N-methyl-2-piperidin-3-ylacetamide
CID 62690898
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
N-methyl-N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62674551
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869844
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 60938004
(3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 81126354
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide (CID 62675082) is N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide is Cc1cccc(OCCN(C)C(=O)CC2CCCNC2)c1.
What is the InChIKey of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide?
The InChIKey is HHZOBAIHOIAAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-5-3-7-16(11-14)21-10-9-19(2)17(20)12-15-6-4-8-18-13-15/h3,5,7,11,15,18H,4,6,8-10,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide?
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide has a molecular weight of 290.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 62675082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).