N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide

C26H33N3O2 — CID 142457969

IUPACN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide
SMILESCC(C)(CCCOc1ccccc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C26H33N3O2/c1-26(2,14-7-17-31-24-10-4-3-5-11-24)25(30)28-23-12-15-29(16-13-23)20-22-9-6-8-21(18-22)19-27/h3-6,8-11,18,23H,7,12-17,20H2,1-2H3,(H,28,30)
InChIKeyMBRSXWCJYQFOMR-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.52
Rot. Bonds9

About N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide

N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide (PubChem CID 142457969) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide.

Molecular Properties

Compound NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide
PubChem CID142457969
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide
SMILESCC(C)(CCCOc1ccccc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1
InChIInChI=1S/C26H33N3O2/c1-26(2,14-7-17-31-24-10-4-3-5-11-24)25(30)28-23-12-15-29(16-13-23)20-22-9-6-8-21(18-22)19-27/h3-6,8-11,18,23H,7,12-17,20H2,1-2H3,(H,28,30)
InChIKeyMBRSXWCJYQFOMR-UHFFFAOYSA-N
XLogP4.52
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpiperidin-4-yl)-5-(2,5-dimethylphenoxy)-2,2-dimethylpentanamide
CID 151616456
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-phenoxypropanamide
CID 51123832
N-[1-[(2-cyanophenyl)methyl]piperidin-4-yl]-5-(2,5-dichlorophenoxy)-2,2-dimethylpentanamide
CID 142457621
N-(1-benzylpiperidin-4-yl)-3-butoxybenzamide
CID 17176524
N-[1-(3-cyanophenyl)sulfonylpiperidin-4-yl]-5-(2,5-dichlorophenoxy)-2,2-dimethylpentanamide
CID 142458060
N-[1-(4-cyanophenyl)sulfonylpiperidin-4-yl]-5-(4-methoxyphenoxy)-2,2-dimethylpentanamide
CID 142457747
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018326
3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63251060
4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 55745478
N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163349250
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide?
The IUPAC name of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide (CID 142457969) is N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide.
What is the SMILES notation for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide?
The canonical SMILES for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide is CC(C)(CCCOc1ccccc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1.
What is the InChIKey of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide?
The InChIKey is MBRSXWCJYQFOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-26(2,14-7-17-31-24-10-4-3-5-11-24)25(30)28-23-12-15-29(16-13-23)20-22-9-6-8-21(18-22)19-27/h3-6,8-11,18,23H,7,12-17,20H2,1-2H3,(H,28,30).
What are the key properties of N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide?
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide has a molecular weight of 419.57 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,2-dimethyl-5-phenoxypentanamide is sourced from PubChem (CID 142457969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).