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

C20H22ClN3O3 — CID 44577545

IUPAC4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-22-19(25)14-4-2-6-16(12-14)23-20(26)24-10-8-17(9-11-24)27-18-7-3-5-15(21)13-18/h2-7,12-13,17H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyUBACDSXIXAKWRM-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.77
Rot. Bonds4

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

4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 44577545) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID44577545
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H22ClN3O3/c1-22-19(25)14-4-2-6-16(12-14)23-20(26)24-10-8-17(9-11-24)27-18-7-3-5-15(21)13-18/h2-7,12-13,17H,8-11H2,1H3,(H,22,25)(H,23,26)
InChIKeyUBACDSXIXAKWRM-UHFFFAOYSA-N
XLogP3.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 44577545) is 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCC(Oc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is UBACDSXIXAKWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-22-19(25)14-4-2-6-16(12-14)23-20(26)24-10-8-17(9-11-24)27-18-7-3-5-15(21)13-18/h2-7,12-13,17H,8-11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 44577545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).