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

C18H29N3O2 — CID 113103863

IUPACN-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-4-10-19-18(22)21-14-12-20(13-15-21)11-9-16-5-7-17(23-2)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,19,22)
InChIKeyCFYLKDITEGFQGV-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.37
Rot. Bonds7

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

N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113103863) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
PubChem CID113103863
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCc2ccc(OC)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-4-10-19-18(22)21-14-12-20(13-15-21)11-9-16-5-7-17(23-2)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,19,22)
InChIKeyCFYLKDITEGFQGV-UHFFFAOYSA-N
XLogP2.37
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
N-(2-methoxyethyl)-4-[3-(4-methoxyphenyl)propyl]piperazine-1-carboxamide
CID 110356585
4-[2-(4-methoxyphenyl)ethyl]-N-prop-2-enylpiperazine-1-carboxamide
CID 51096013
N-[4-(4-methoxyphenyl)butyl]pyrrolidine-1-carboxamide
CID 75377861
4-[2-(4-chlorophenyl)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108177
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
4-[2-(3-methoxyphenyl)ethyl]-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109361
N-pentyl-4-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboxamide
CID 113109842
4-hydroxy-N-[3-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 118398472
4-[3-(3-methoxyphenyl)propyl]-N-propylpiperazine-1-carboxamide
CID 110358269
N-[2-(3-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 113108807
N-butyl-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetamide
CID 18163217

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide (CID 113103863) is N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide is CCCCNC(=O)N1CCN(CCc2ccc(OC)cc2)CC1.
What is the InChIKey of N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is CFYLKDITEGFQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-4-10-19-18(22)21-14-12-20(13-15-21)11-9-16-5-7-17(23-2)8-6-16/h5-8H,3-4,9-15H2,1-2H3,(H,19,22).
What are the key properties of N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide?
N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-(4-methoxyphenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113103863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).