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

C19H29ClN4O2 — CID 55662734

IUPAC4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
SMILESCCN1CCN(CCCNC(=O)CCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-2-23-12-14-24(15-13-23)11-3-9-21-18(25)8-10-22-19(26)16-4-6-17(20)7-5-16/h4-7H,2-3,8-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyGXRWLWMOGKSSFU-UHFFFAOYSA-N
MW380.92 g/mol
LogP1.60
Rot. Bonds9

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

4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide (PubChem CID 55662734) has the molecular formula C19H29ClN4O2 and a molecular weight of 380.92 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
PubChem CID55662734
Molecular FormulaC19H29ClN4O2
Molecular Weight380.92 g/mol
Exact Mass380.20
IUPAC Name4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
SMILESCCN1CCN(CCCNC(=O)CCNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H29ClN4O2/c1-2-23-12-14-24(15-13-23)11-3-9-21-18(25)8-10-22-19(26)16-4-6-17(20)7-5-16/h4-7H,2-3,8-15H2,1H3,(H,21,25)(H,22,26)
InChIKeyGXRWLWMOGKSSFU-UHFFFAOYSA-N
XLogP1.60
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442914
N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55660267
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
2,5-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 47029242
3-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]benzamide
CID 110442007
4-(4-chlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-oxobutanamide
CID 110306289
N-[3-(4-ethylpiperazin-1-yl)propyl]-4-(ethylsulfamoyl)benzamide
CID 55660382
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
4-chloro-N-[4-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 86944721
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide (CID 55662734) is 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide is CCN1CCN(CCCNC(=O)CCNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide?
The InChIKey is GXRWLWMOGKSSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN4O2/c1-2-23-12-14-24(15-13-23)11-3-9-21-18(25)8-10-22-19(26)16-4-6-17(20)7-5-16/h4-7H,2-3,8-15H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide has a molecular weight of 380.92 g/mol, XLogP of 1.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55662734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).