3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide

C20H34N4O — CID 110444371

IUPAC3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
SMILESCCN1CCN(CCCCCNC(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C20H34N4O/c1-4-23-13-15-24(16-14-23)12-7-5-6-11-21-20(25)18-9-8-10-19(17-18)22(2)3/h8-10,17H,4-7,11-16H2,1-3H3,(H,21,25)
InChIKeyGKBTXKZGAUCQFW-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.29
Rot. Bonds9

About 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide

3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide (PubChem CID 110444371) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
PubChem CID110444371
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide
SMILESCCN1CCN(CCCCCNC(=O)c2cccc(N(C)C)c2)CC1
InChIInChI=1S/C20H34N4O/c1-4-23-13-15-24(16-14-23)12-7-5-6-11-21-20(25)18-9-8-10-19(17-18)22(2)3/h8-10,17H,4-7,11-16H2,1-3H3,(H,21,25)
InChIKeyGKBTXKZGAUCQFW-UHFFFAOYSA-N
XLogP2.29
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(dimethylamino)-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110444367
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-(5-chloropentyl)-3-(dimethylamino)benzamide
CID 107321118
3-(dimethylamino)-N-(3-pyrrol-1-ylpropyl)benzamide
CID 90500669
N-[5-(4-ethylpiperazin-1-yl)pentyl]pyridine-3-carboxamide
CID 110442851
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(methanesulfonamido)benzamide
CID 55660415
4-[[3-(dimethylamino)benzoyl]amino]butanoic acid
CID 43089726
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(propylsulfonylamino)benzamide
CID 55660410
3-(dimethylamino)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]benzamide
CID 49090745
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
CID 110441580

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide (CID 110444371) is 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide is CCN1CCN(CCCCCNC(=O)c2cccc(N(C)C)c2)CC1.
What is the InChIKey of 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide?
The InChIKey is GKBTXKZGAUCQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-4-23-13-15-24(16-14-23)12-7-5-6-11-21-20(25)18-9-8-10-19(17-18)22(2)3/h8-10,17H,4-7,11-16H2,1-3H3,(H,21,25).
What are the key properties of 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide?
3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide has a molecular weight of 346.52 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[5-(4-ethylpiperazin-1-yl)pentyl]benzamide is sourced from PubChem (CID 110444371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).