N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide

C22H28N2O3 — CID 46413657

IUPACN-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-6-5-7-21(16-20)27-15-12-23-22(25)19-10-8-18(9-11-19)17-24-13-3-2-4-14-24/h5-11,16H,2-4,12-15,17H2,1H3,(H,23,25)
InChIKeyNIBRLHZZGVLIQD-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.49
Rot. Bonds8

About N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide

N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 46413657) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID46413657
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESCOc1cccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-6-5-7-21(16-20)27-15-12-23-22(25)19-10-8-18(9-11-19)17-24-13-3-2-4-14-24/h5-11,16H,2-4,12-15,17H2,1H3,(H,23,25)
InChIKeyNIBRLHZZGVLIQD-UHFFFAOYSA-N
XLogP3.49
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 46404632
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
4-nitro-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]benzamide
CID 12952085
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
4-(3-benzyl-4-oxo-1,3-thiazolidin-2-yl)-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 133244546
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(morpholin-4-ylmethyl)benzamide
CID 56921966
3-(3-methoxyphenoxy)-N-(2-piperidin-1-ylethyl)propanamide
CID 153319158
4-(aminomethyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]benzamide;hydrochloride
CID 119345843
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
N-[2-(3-methoxyphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 113099800

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide (CID 46413657) is N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide is COc1cccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is NIBRLHZZGVLIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-6-5-7-21(16-20)27-15-12-23-22(25)19-10-8-18(9-11-19)17-24-13-3-2-4-14-24/h5-11,16H,2-4,12-15,17H2,1H3,(H,23,25).
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 46413657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).