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

C21H25N3O3 — CID 44577543

IUPACN-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-3-4-9-19(15)27-18-10-12-24(13-11-18)21(26)23-17-8-5-7-16(14-17)20(25)22-2/h3-9,14,18H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAQGBQLJURMHFFR-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.43
Rot. Bonds4

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

N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide (PubChem CID 44577543) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide
PubChem CID44577543
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3C)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-15-6-3-4-9-19(15)27-18-10-12-24(13-11-18)21(26)23-17-8-5-7-16(14-17)20(25)22-2/h3-9,14,18H,10-13H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyAQGBQLJURMHFFR-UHFFFAOYSA-N
XLogP3.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide?
The IUPAC name of N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide (CID 44577543) is N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3C)CC2)c1.
What is the InChIKey of N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide?
The InChIKey is AQGBQLJURMHFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-6-3-4-9-19(15)27-18-10-12-24(13-11-18)21(26)23-17-8-5-7-16(14-17)20(25)22-2/h3-9,14,18H,10-13H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide?
N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylcarbamoyl)phenyl]-4-(2-methylphenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 44577543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).