N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide

C21H26ClN3O2 — CID 113109387

IUPACN-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-16-6-7-18(22)15-20(16)23-21(26)25-12-10-24(11-13-25)9-8-17-4-3-5-19(14-17)27-2/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)
InChIKeyLEOZMWPQGBXAGI-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.05
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide

N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109387) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109387
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-16-6-7-18(22)15-20(16)23-21(26)25-12-10-24(11-13-25)9-8-17-4-3-5-19(14-17)27-2/h3-7,14-15H,8-13H2,1-2H3,(H,23,26)
InChIKeyLEOZMWPQGBXAGI-UHFFFAOYSA-N
XLogP4.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
4-[2-(3-methoxyphenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109366
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965
N-(5-chloro-2-methylphenyl)-2-(3-methoxyphenyl)acetamide
CID 3576472
4-[2-(3-methoxyphenyl)ethyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108858
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
2-(4-chlorophenoxy)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110602062
N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109409
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
CID 6470753
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-(5-chloro-2-methoxyphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110122

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113109387) is N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1cccc(CCN2CCN(C(=O)Nc3cc(Cl)ccc3C)CC2)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is LEOZMWPQGBXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-16-6-7-18(22)15-20(16)23-21(26)25-12-10-24(11-13-25)9-8-17-4-3-5-19(14-17)27-2/h3-7,14-15H,8-13H2,1-2H3,(H,23,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).