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

C21H26ClN3O2 — CID 113108177

IUPAC4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-8-4-18(5-9-20)16-23-21(26)25-14-12-24(13-15-25)11-10-17-2-6-19(22)7-3-17/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyQINYYHBBQHZLIK-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.42
Rot. Bonds6

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

4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113108177) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID113108177
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-8-4-18(5-9-20)16-23-21(26)25-14-12-24(13-15-25)11-10-17-2-6-19(22)7-3-17/h2-9H,10-16H2,1H3,(H,23,26)
InChIKeyQINYYHBBQHZLIK-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
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
N-[(4-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104912
2-(4-chlorophenyl)-1-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 113074346
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
N-[(4-chlorophenyl)methyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108899252
N-[(4-chlorophenyl)methyl]-4-(2-methylsulfanylethyl)piperazine-1-carboxamide
CID 119058526
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113103863

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 113108177) is 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(CCc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is QINYYHBBQHZLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-20-8-4-18(5-9-20)16-23-21(26)25-14-12-24(13-15-25)11-10-17-2-6-19(22)7-3-17/h2-9H,10-16H2,1H3,(H,23,26).
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]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 4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113108177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).