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

C21H27N3O2 — CID 108900940

IUPAC4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-5-8-18(16-20)10-11-22-21(25)24-14-12-23(13-15-24)17-19-6-3-2-4-7-19/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyNUTWQTXXJDXEFY-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.77
Rot. Bonds6

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

4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 108900940) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID108900940
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCOc1cccc(CCNC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O2/c1-26-20-9-5-8-18(16-20)10-11-22-21(25)24-14-12-23(13-15-24)17-19-6-3-2-4-7-19/h2-9,16H,10-15,17H2,1H3,(H,22,25)
InChIKeyNUTWQTXXJDXEFY-UHFFFAOYSA-N
XLogP2.77
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
4-(2-methoxyethyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113104923
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
4-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109446
N-[2-(3-methoxyphenyl)ethyl]-4-(3-methylbutyl)piperazine-1-carboxamide
CID 113109427
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-(3-chloro-2-methylphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109448

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 108900940) is 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is COc1cccc(CCNC(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is NUTWQTXXJDXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-9-5-8-18(16-20)10-11-22-21(25)24-14-12-23(13-15-24)17-19-6-3-2-4-7-19/h2-9,16H,10-15,17H2,1H3,(H,22,25).
What are the key properties of 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide?
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 108900940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).