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

C20H25N3O2 — CID 27517759

IUPAC4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-9-5-8-18(14-19)15-21-20(24)23-12-10-22(11-13-23)16-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H,21,24)
InChIKeyZKAKIFWVZIPESK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.72
Rot. Bonds5

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

4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide (PubChem CID 27517759) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
PubChem CID27517759
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-25-19-9-5-8-18(14-19)15-21-20(24)23-12-10-22(11-13-23)16-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H,21,24)
InChIKeyZKAKIFWVZIPESK-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106920
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-benzyl-N-[(3-bromophenyl)methyl]piperazine-1-carboxamide
CID 108898851
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 91905862
N-[(4-chlorophenyl)methyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113107927
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-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-benzyl-4-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 858309
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide (CID 27517759) is 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide is COc1cccc(CNC(=O)N2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is ZKAKIFWVZIPESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-9-5-8-18(14-19)15-21-20(24)23-12-10-22(11-13-23)16-17-6-3-2-4-7-17/h2-9,14H,10-13,15-16H2,1H3,(H,21,24).
What are the key properties of 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide?
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 27517759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).