N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide

C20H25N3O3 — CID 110363825

IUPACN-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-18-9-8-17(14-19(18)26-2)22-10-12-23(13-11-22)20(24)21-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyLMXGUUVBWSIAKB-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds5

About N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide

N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 110363825) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID110363825
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-18-9-8-17(14-19(18)26-2)22-10-12-23(13-11-22)20(24)21-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyLMXGUUVBWSIAKB-UHFFFAOYSA-N
XLogP2.74
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113107969
4-(3,4-dimethoxyphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110199
N-benzyl-4-(3,4-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110365684
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510
4-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109461
N-[(3,4-dimethoxyphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 38202199
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113110019
4-(3,4-dimethoxyphenyl)-N-pentylpiperazine-1-carboxamide
CID 113110884
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 38153261

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide (CID 110363825) is N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(N2CCN(C(=O)NCc3ccccc3)CC2)cc1OC.
What is the InChIKey of N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LMXGUUVBWSIAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-18-9-8-17(14-19(18)26-2)22-10-12-23(13-11-22)20(24)21-15-16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide?
N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 110363825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).