N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C25H31N3O5 — CID 55886034

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C25H31N3O5/c1-27(2)24(30)18-33-22-10-8-20(9-11-22)26-25(31)19-12-15-28(16-13-19)23(29)14-17-32-21-6-4-3-5-7-21/h3-11,19H,12-18H2,1-2H3,(H,26,31)
InChIKeyVVSNKTBSJZQOFN-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.80
Rot. Bonds9

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55886034) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55886034
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1
InChIInChI=1S/C25H31N3O5/c1-27(2)24(30)18-33-22-10-8-20(9-11-22)26-25(31)19-12-15-28(16-13-19)23(29)14-17-32-21-6-4-3-5-7-21/h3-11,19H,12-18H2,1-2H3,(H,26,31)
InChIKeyVVSNKTBSJZQOFN-UHFFFAOYSA-N
XLogP2.80
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885887
butyl 4-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 55884295
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383
N-(4-fluorophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631357
1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-[4-(2-methoxyphenoxy)phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409832
1-(3-phenoxypropanoyl)-N-prop-2-ynylpiperidine-4-carboxamide
CID 51087677
N-(3-cyclopentyloxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885368
N-(2,5-dimethylphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55882738

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55886034) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CN(C)C(=O)COc1ccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is VVSNKTBSJZQOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-27(2)24(30)18-33-22-10-8-20(9-11-22)26-25(31)19-12-15-28(16-13-19)23(29)14-17-32-21-6-4-3-5-7-21/h3-11,19H,12-18H2,1-2H3,(H,26,31).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 2.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55886034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).