N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide

C28H38N2O5 — CID 55630994

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1OC
InChIInChI=1S/C28H38N2O5/c1-4-15-30(20-22-11-12-25(34-18-5-2)26(19-22)33-3)28(32)23-13-16-29(17-14-23)27(31)21-35-24-9-7-6-8-10-24/h6-12,19,23H,4-5,13-18,20-21H2,1-3H3
InChIKeyAALASIMELFZXQT-UHFFFAOYSA-N
MW482.62 g/mol
LogP4.54
Rot. Bonds12

About N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide (PubChem CID 55630994) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide
PubChem CID55630994
Molecular FormulaC28H38N2O5
Molecular Weight482.62 g/mol
Exact Mass482.28
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide
SMILESCCCOc1ccc(CN(CCC)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1OC
InChIInChI=1S/C28H38N2O5/c1-4-15-30(20-22-11-12-25(34-18-5-2)26(19-22)33-3)28(32)23-13-16-29(17-14-23)27(31)21-35-24-9-7-6-8-10-24/h6-12,19,23H,4-5,13-18,20-21H2,1-3H3
InChIKeyAALASIMELFZXQT-UHFFFAOYSA-N
XLogP4.54
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.62
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55660795
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409786
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332541
N-benzyl-N-(2-hydroxyethyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 2903593
2-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide
CID 55332838
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119268681
3-(4-ethoxy-3-methoxyphenyl)-1-[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547719
N-cyclopropyl-N-(4-methylcyclohexyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632173
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide (CID 55630994) is N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide is CCCOc1ccc(CN(CCC)C(=O)C2CCN(C(=O)COc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide?
The InChIKey is AALASIMELFZXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O5/c1-4-15-30(20-22-11-12-25(34-18-5-2)26(19-22)33-3)28(32)23-13-16-29(17-14-23)27(31)21-35-24-9-7-6-8-10-24/h6-12,19,23H,4-5,13-18,20-21H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide has a molecular weight of 482.62 g/mol, XLogP of 4.54, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(2-phenoxyacetyl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 55630994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).