N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C26H35N3O3 — CID 55694691

IUPACN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C26H35N3O3/c1-20(2)28(3)18-23-10-8-7-9-22(23)17-27-26(31)21-13-15-29(16-14-21)25(30)19-32-24-11-5-4-6-12-24/h4-12,20-21H,13-19H2,1-3H3,(H,27,31)
InChIKeyFOJLPXIVIRZQIF-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.46
Rot. Bonds9

About N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55694691) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55694691
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCC(C)N(C)Cc1ccccc1CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C26H35N3O3/c1-20(2)28(3)18-23-10-8-7-9-22(23)17-27-26(31)21-13-15-29(16-14-21)25(30)19-32-24-11-5-4-6-12-24/h4-12,20-21H,13-19H2,1-3H3,(H,27,31)
InChIKeyFOJLPXIVIRZQIF-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55762545
1-ethylsulfonyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55715200
1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003971
N-[2-(dimethylamino)-3-phenylpropyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55634987
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
N-[[1-(dimethylamino)cycloheptyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46411434
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55694691) is N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CC(C)N(C)Cc1ccccc1CNC(=O)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is FOJLPXIVIRZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-20(2)28(3)18-23-10-8-7-9-22(23)17-27-26(31)21-13-15-29(16-14-21)25(30)19-32-24-11-5-4-6-12-24/h4-12,20-21H,13-19H2,1-3H3,(H,27,31).
What are the key properties of N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55694691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).