N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide

C21H23Cl2N3O3 — CID 46225163

IUPACN-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide
SMILESCNC(=O)c1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O3/c1-24-20(27)14-3-6-17(7-4-14)29-18-8-10-26(11-9-18)21(28)25-13-15-2-5-16(22)12-19(15)23/h2-7,12,18H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyJSELRXBBTMAUEO-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.11
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide

N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide (PubChem CID 46225163) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide
PubChem CID46225163
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide
SMILESCNC(=O)c1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C21H23Cl2N3O3/c1-24-20(27)14-3-6-17(7-4-14)29-18-8-10-26(11-9-18)21(28)25-13-15-2-5-16(22)12-19(15)23/h2-7,12,18H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyJSELRXBBTMAUEO-UHFFFAOYSA-N
XLogP4.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide (CID 46225163) is N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide is CNC(=O)c1ccc(OC2CCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide?
The InChIKey is JSELRXBBTMAUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O3/c1-24-20(27)14-3-6-17(7-4-14)29-18-8-10-26(11-9-18)21(28)25-13-15-2-5-16(22)12-19(15)23/h2-7,12,18H,8-11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide has a molecular weight of 436.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-4-[4-(methylcarbamoyl)phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 46225163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).