4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide

C20H24N2O2 — CID 112824865

IUPAC4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-10-12-22(13-11-15)20(23)21-18-8-3-4-9-19(18)24-17-7-5-6-16(2)14-17/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyQDIUZAPHUHKMEN-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.05
Rot. Bonds3

About 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide

4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide (PubChem CID 112824865) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
PubChem CID112824865
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide
SMILESCc1cccc(Oc2ccccc2NC(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-15-10-12-22(13-11-15)20(23)21-18-8-3-4-9-19(18)24-17-7-5-6-16(2)14-17/h3-9,14-15H,10-13H2,1-2H3,(H,21,23)
InChIKeyQDIUZAPHUHKMEN-UHFFFAOYSA-N
XLogP5.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-N-[2-(3-methylphenoxy)phenyl]pyrrolidine-1-carboxamide
CID 111473314
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
N-[2-(3-methylphenoxy)phenyl]-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 112824843
N-[2-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266446
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844
2-amino-N-[2-(3-methylphenoxy)phenyl]acetamide
CID 61260248
1-(cyclopropylmethyl)-1-methyl-3-[2-(3-methylphenoxy)phenyl]urea
CID 112838266
(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 97007159
1-[[2-(3-methylphenoxy)phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122001141

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide (CID 112824865) is 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide is Cc1cccc(Oc2ccccc2NC(=O)N2CCC(C)CC2)c1.
What is the InChIKey of 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is QDIUZAPHUHKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-10-12-22(13-11-15)20(23)21-18-8-3-4-9-19(18)24-17-7-5-6-16(2)14-17/h3-9,14-15H,10-13H2,1-2H3,(H,21,23).
What are the key properties of 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide?
4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(3-methylphenoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 112824865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).