N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C25H33N3O3 — CID 55634987

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C25H33N3O3/c1-27(2)22(17-20-9-5-3-6-10-20)18-26-25(30)21-13-15-28(16-14-21)24(29)19-31-23-11-7-4-8-12-23/h3-12,21-22H,13-19H2,1-2H3,(H,26,30)
InChIKeyHZLBEKUZCKJKAU-UHFFFAOYSA-N
MW423.56 g/mol
LogP2.59
Rot. Bonds9

About N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55634987) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55634987
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCN(C)C(CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C25H33N3O3/c1-27(2)22(17-20-9-5-3-6-10-20)18-26-25(30)21-13-15-28(16-14-21)24(29)19-31-23-11-7-4-8-12-23/h3-12,21-22H,13-19H2,1-2H3,(H,26,30)
InChIKeyHZLBEKUZCKJKAU-UHFFFAOYSA-N
XLogP2.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
CID 119528943
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55694691
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46411434
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55634987) is N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CN(C)C(CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is HZLBEKUZCKJKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-27(2)22(17-20-9-5-3-6-10-20)18-26-25(30)21-13-15-28(16-14-21)24(29)19-31-23-11-7-4-8-12-23/h3-12,21-22H,13-19H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 2.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55634987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).