N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide

C20H24ClN3O2 — CID 110409809

IUPACN-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(OCCN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-16-5-7-19(8-6-16)26-14-13-23-9-11-24(12-10-23)20(25)22-18-4-2-3-17(21)15-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyYYQIEPFJKBMMPV-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.88
Rot. Bonds5

About N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide

N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 110409809) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID110409809
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(OCCN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C20H24ClN3O2/c1-16-5-7-19(8-6-16)26-14-13-23-9-11-24(12-10-23)20(25)22-18-4-2-3-17(21)15-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyYYQIEPFJKBMMPV-UHFFFAOYSA-N
XLogP3.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342
(3-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638153
N-(3-chlorophenyl)-4-pentylpiperazine-1-carboxamide
CID 17184978
N-(3-chlorophenyl)-4-(4-methylphenoxy)butanamide
CID 2709974
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
4-N-(3-chlorophenyl)-1-N-methylpiperazine-1,4-dicarboxamide
CID 23932887
methyl 3-[4-[(3-chlorophenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoate
CID 154873717
(2-chlorophenyl)-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638152
N-(3-chlorophenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561338
4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109366
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide (CID 110409809) is N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide is Cc1ccc(OCCN2CCN(C(=O)Nc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is YYQIEPFJKBMMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-16-5-7-19(8-6-16)26-14-13-23-9-11-24(12-10-23)20(25)22-18-4-2-3-17(21)15-18/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide?
N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 110409809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).