4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

C16H24F2N4O — CID 113106366

IUPAC4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H24F2N4O/c1-20(2)7-3-6-19-16(23)22-10-8-21(9-11-22)13-4-5-14(17)15(18)12-13/h4-5,12H,3,6-11H2,1-2H3,(H,19,23)
InChIKeyJQIZRJGMBBXFLM-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.75
Rot. Bonds5

About 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide

4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (PubChem CID 113106366) has the molecular formula C16H24F2N4O and a molecular weight of 326.39 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
PubChem CID113106366
Molecular FormulaC16H24F2N4O
Molecular Weight326.39 g/mol
Exact Mass326.19
IUPAC Name4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H24F2N4O/c1-20(2)7-3-6-19-16(23)22-10-8-21(9-11-22)13-4-5-14(17)15(18)12-13/h4-5,12H,3,6-11H2,1-2H3,(H,19,23)
InChIKeyJQIZRJGMBBXFLM-UHFFFAOYSA-N
XLogP1.75
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.75
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-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113106335
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763494
N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892
4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106359
N-butyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazine-1-carboxamide
CID 113103928
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763476
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
N-[3-(dimethylamino)propyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109016992

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide (CID 113106366) is 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is CN(C)CCCNC(=O)N1CCN(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
The InChIKey is JQIZRJGMBBXFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N4O/c1-20(2)7-3-6-19-16(23)22-10-8-21(9-11-22)13-4-5-14(17)15(18)12-13/h4-5,12H,3,6-11H2,1-2H3,(H,19,23).
What are the key properties of 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide?
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).