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

C17H26ClN3O — CID 110442007

IUPAC3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
SMILESCCN1CCN(CCCCNC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-2-20-10-12-21(13-11-20)9-4-3-8-19-17(22)15-6-5-7-16(18)14-15/h5-7,14H,2-4,8-13H2,1H3,(H,19,22)
InChIKeyYBCABIJXQQGUGI-UHFFFAOYSA-N
MW323.87 g/mol
LogP2.49
Rot. Bonds7

About 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide

3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide (PubChem CID 110442007) has the molecular formula C17H26ClN3O and a molecular weight of 323.87 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
PubChem CID110442007
Molecular FormulaC17H26ClN3O
Molecular Weight323.87 g/mol
Exact Mass323.18
IUPAC Name3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
SMILESCCN1CCN(CCCCNC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H26ClN3O/c1-2-20-10-12-21(13-11-20)9-4-3-8-19-17(22)15-6-5-7-16(18)14-15/h5-7,14H,2-4,8-13H2,1H3,(H,19,22)
InChIKeyYBCABIJXQQGUGI-UHFFFAOYSA-N
XLogP2.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 52.49
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-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
CID 110444371
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide (CID 110442007) is 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide is CCN1CCN(CCCCNC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
The InChIKey is YBCABIJXQQGUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O/c1-2-20-10-12-21(13-11-20)9-4-3-8-19-17(22)15-6-5-7-16(18)14-15/h5-7,14H,2-4,8-13H2,1H3,(H,19,22).
What are the key properties of 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide?
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide has a molecular weight of 323.87 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 110442007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).