1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

C22H28N2O2 — CID 43925293

IUPAC1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)26-21-12-10-20(11-13-21)23-22(25)19-9-6-14-24(16-19)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,19H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyUGKLMEAPRUZVFF-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.32
Rot. Bonds6

About 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide

1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 43925293) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
PubChem CID43925293
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CCCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C22H28N2O2/c1-17(2)26-21-12-10-20(11-13-21)23-22(25)19-9-6-14-24(16-19)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,19H,6,9,14-16H2,1-2H3,(H,23,25)
InChIKeyUGKLMEAPRUZVFF-UHFFFAOYSA-N
XLogP4.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-[(2,6-dichlorophenyl)methyl]-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925323
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 93491646
(3S)-1-[(2-chlorophenyl)methyl]-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 94023964
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide (CID 43925293) is 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is CC(C)Oc1ccc(NC(=O)C2CCCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is UGKLMEAPRUZVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)26-21-12-10-20(11-13-21)23-22(25)19-9-6-14-24(16-19)15-18-7-4-3-5-8-18/h3-5,7-8,10-13,17,19H,6,9,14-16H2,1-2H3,(H,23,25).
What are the key properties of 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide?
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43925293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).