3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide

C17H26ClN3O3 — CID 119391318

IUPAC3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCN2CCNCC2)cc1OC
InChIInChI=1S/C17H26ClN3O3/c1-3-24-16-14(18)11-13(12-15(16)23-2)17(22)20-5-4-8-21-9-6-19-7-10-21/h11-12,19H,3-10H2,1-2H3,(H,20,22)
InChIKeyFGOOEMFPPBFXRZ-UHFFFAOYSA-N
MW355.87 g/mol
LogP1.77
Rot. Bonds8

About 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide

3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119391318) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119391318
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)NCCCN2CCNCC2)cc1OC
InChIInChI=1S/C17H26ClN3O3/c1-3-24-16-14(18)11-13(12-15(16)23-2)17(22)20-5-4-8-21-9-6-19-7-10-21/h11-12,19H,3-10H2,1-2H3,(H,20,22)
InChIKeyFGOOEMFPPBFXRZ-UHFFFAOYSA-N
XLogP1.77
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-ethoxy-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119445563
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
4-butoxy-3-chloro-5-methoxy-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448351
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
3-chloro-4-ethoxy-N-(3-imidazol-1-ylpropyl)-5-methoxybenzamide
CID 51155753
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
3-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-ethoxy-5-methoxybenzamide
CID 46446956
5-methoxy-N-(3-piperazin-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119394320
4-amino-5-chloro-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 122080182
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide (CID 119391318) is 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide is CCOc1c(Cl)cc(C(=O)NCCCN2CCNCC2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is FGOOEMFPPBFXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3/c1-3-24-16-14(18)11-13(12-15(16)23-2)17(22)20-5-4-8-21-9-6-19-7-10-21/h11-12,19H,3-10H2,1-2H3,(H,20,22).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide?
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 355.87 g/mol, XLogP of 1.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119391318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).