N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide

C17H27N3O — CID 110442914

IUPACN-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
SMILESCCN1CCN(CCCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-19-12-14-20(15-13-19)11-7-6-10-18-17(21)16-8-4-3-5-9-16/h3-5,8-9H,2,6-7,10-15H2,1H3,(H,18,21)
InChIKeyUOVKHYJZVXEJTD-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.83
Rot. Bonds7

About N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide

N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide (PubChem CID 110442914) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
PubChem CID110442914
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
SMILESCCN1CCN(CCCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c1-2-19-12-14-20(15-13-19)11-7-6-10-18-17(21)16-8-4-3-5-9-16/h3-5,8-9H,2,6-7,10-15H2,1H3,(H,18,21)
InChIKeyUOVKHYJZVXEJTD-UHFFFAOYSA-N
XLogP1.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.83
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

3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
N-[5-(4-ethylpiperazin-1-yl)pentyl]-2-fluorobenzamide
CID 110444095
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
N-[3-(4-aminopiperidin-1-yl)propyl]benzamide
CID 118533812
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]benzamide
CID 71271945
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide (CID 110442914) is N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide is CCN1CCN(CCCCNC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The InChIKey is UOVKHYJZVXEJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-19-12-14-20(15-13-19)11-7-6-10-18-17(21)16-8-4-3-5-9-16/h3-5,8-9H,2,6-7,10-15H2,1H3,(H,18,21).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide has a molecular weight of 289.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 110442914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).