N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide

C21H25N3O3 — CID 137348114

IUPACN-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide
SMILES[H]/N=C(\Cc1cccc(OC)c1)NC(=O)c1ccccc1OC1CCNCC1
InChIInChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25)
InChIKeyWTWXRFGIIFJWMN-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide

N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide (PubChem CID 137348114) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide
PubChem CID137348114
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide
SMILES[H]/N=C(\Cc1cccc(OC)c1)NC(=O)c1ccccc1OC1CCNCC1
InChIInChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25)
InChIKeyWTWXRFGIIFJWMN-UHFFFAOYSA-N
XLogP2.78
TPSA83.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-methoxy-2-piperidin-4-yloxybenzoate
CID 71586561
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
N-[(3-methoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 61028976
2-(3-methoxyphenyl)-1-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95314657
2-(3-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 55248998
1-(2-cyclobutylphenyl)-2-(3-methoxyphenyl)ethanone
CID 114601759
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
methyl 2-[(3R)-pyrrolidin-3-yl]oxybenzoate
CID 86322513
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
6-(2-aminopyrimidin-1-ium-4-yl)-N-[(3-methoxyphenyl)methyl]-4-piperidin-4-yloxy-1,3-benzothiazole-2-carboxamide
CID 143949599

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide (CID 137348114) is N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide is [H]/N=C(\Cc1cccc(OC)c1)NC(=O)c1ccccc1OC1CCNCC1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide?
The InChIKey is WTWXRFGIIFJWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide?
N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide has a molecular weight of 367.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxybenzamide is sourced from PubChem (CID 137348114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).