3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

C16H24ClF2N3O3 — CID 119391951

IUPAC3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCCN2CCNCC2)cc1OC(F)F.Cl
InChIInChI=1S/C16H23F2N3O3.ClH/c1-23-13-4-3-12(11-14(13)24-16(17)18)15(22)20-5-2-8-21-9-6-19-7-10-21;/h3-4,11,16,19H,2,5-10H2,1H3,(H,20,22);1H
InChIKeyGUGJWBSPWNAXOE-UHFFFAOYSA-N
MW379.84 g/mol
LogP1.74
Rot. Bonds8

About 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride

3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (PubChem CID 119391951) has the molecular formula C16H24ClF2N3O3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
PubChem CID119391951
Molecular FormulaC16H24ClF2N3O3
Molecular Weight379.84 g/mol
Exact Mass379.15
IUPAC Name3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
SMILESCOc1ccc(C(=O)NCCCN2CCNCC2)cc1OC(F)F.Cl
InChIInChI=1S/C16H23F2N3O3.ClH/c1-23-13-4-3-12(11-14(13)24-16(17)18)15(22)20-5-2-8-21-9-6-19-7-10-21;/h3-4,11,16,19H,2,5-10H2,1H3,(H,20,22);1H
InChIKeyGUGJWBSPWNAXOE-UHFFFAOYSA-N
XLogP1.74
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 51.74
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

4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
CID 51953209
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55633946
3-(difluoromethoxy)-4-methoxy-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 120813300
5-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]pentanoic acid
CID 119234202
3-(difluoromethoxy)-4-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803051
N-(2-aminoethyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 119383172
3-(difluoromethoxy)-4-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119534962
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
3-hydroxy-4-methyl-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443390
3-(difluoromethoxy)-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxybenzamide
CID 55741143

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The IUPAC name of 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride (CID 119391951) is 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The canonical SMILES for 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is COc1ccc(C(=O)NCCCN2CCNCC2)cc1OC(F)F.Cl.
What is the InChIKey of 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
The InChIKey is GUGJWBSPWNAXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O3.ClH/c1-23-13-4-3-12(11-14(13)24-16(17)18)15(22)20-5-2-8-21-9-6-19-7-10-21;/h3-4,11,16,19H,2,5-10H2,1H3,(H,20,22);1H.
What are the key properties of 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride?
3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride has a molecular weight of 379.84 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride is sourced from PubChem (CID 119391951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).