N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide

C21H26N2O2 — CID 90505534

IUPACN-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(COCc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-9-11-20(12-10-17)22-21(24)23-13-5-8-19(14-23)16-25-15-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)
InChIKeyZLCLFHIFQFLULU-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.46
Rot. Bonds5

About N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide

N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide (PubChem CID 90505534) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
PubChem CID90505534
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCC(COCc3ccccc3)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-17-9-11-20(12-10-17)22-21(24)23-13-5-8-19(14-23)16-25-15-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24)
InChIKeyZLCLFHIFQFLULU-UHFFFAOYSA-N
XLogP4.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2-oxo-2-[3-(phenylmethoxymethyl)piperidin-1-yl]ethyl]benzenesulfonamide
CID 142630178
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
N-(5-chloro-2-methoxyphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505566
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
1-[3-(phenylmethoxymethyl)piperidin-1-yl]-2-propylpentan-1-one
CID 90505130
(1-methylsulfonylpiperidin-4-yl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505242
N-(1-ethylpyrazol-4-yl)-3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 71994452
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide (CID 90505534) is N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCCC(COCc3ccccc3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
The InChIKey is ZLCLFHIFQFLULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17-9-11-20(12-10-17)22-21(24)23-13-5-8-19(14-23)16-25-15-18-6-3-2-4-7-18/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3,(H,22,24).
What are the key properties of N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide?
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90505534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).