N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C23H28N2O4 — CID 55631173

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-9-7-18(8-10-20)11-14-24-23(27)19-12-15-25(16-13-19)22(26)17-29-21-5-3-2-4-6-21/h2-10,19H,11-17H2,1H3,(H,24,27)
InChIKeyPESKZWYZWSDWIQ-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55631173) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55631173
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-9-7-18(8-10-20)11-14-24-23(27)19-12-15-25(16-13-19)22(26)17-29-21-5-3-2-4-6-21/h2-10,19H,11-17H2,1H3,(H,24,27)
InChIKeyPESKZWYZWSDWIQ-UHFFFAOYSA-N
XLogP2.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 11036347
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-[2-(4-methoxyphenyl)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713699
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55660795
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
2-[4-[2-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 119255824
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
N-[2-(4-aminophenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119547681
N-[2-(4-methoxyphenyl)ethyl]-1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 39353527
1-[2-(4-methoxyphenyl)acetyl]-N-propylpiperidine-4-carboxamide
CID 113002396

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55631173) is N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is PESKZWYZWSDWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-20-9-7-18(8-10-20)11-14-24-23(27)19-12-15-25(16-13-19)22(26)17-29-21-5-3-2-4-6-21/h2-10,19H,11-17H2,1H3,(H,24,27).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55631173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).