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

C21H26ClN3O2 — CID 113107927

IUPACN-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-4-2-3-17(15-20)9-10-24-11-13-25(14-12-24)21(26)23-16-18-5-7-19(22)8-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,26)
InChIKeyBFKGTHXUIBOBOK-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.42
Rot. Bonds6

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

N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113107927) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113107927
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC NameN-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCN2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-4-2-3-17(15-20)9-10-24-11-13-25(14-12-24)21(26)23-16-18-5-7-19(22)8-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,26)
InChIKeyBFKGTHXUIBOBOK-UHFFFAOYSA-N
XLogP3.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108183
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
4-[2-(4-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
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
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
2-(4-chlorophenoxy)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110602062
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113107927) is N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1cccc(CCN2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is BFKGTHXUIBOBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-20-4-2-3-17(15-20)9-10-24-11-13-25(14-12-24)21(26)23-16-18-5-7-19(22)8-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).