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

C16H25FN4O — CID 113106335

IUPACN-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN4O/c1-19(2)8-4-7-18-16(22)21-11-9-20(10-12-21)15-6-3-5-14(17)13-15/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,22)
InChIKeySFDYZKRZJAOZKN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.61
Rot. Bonds5

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

N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113106335) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
PubChem CID113106335
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC NameN-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide
SMILESCN(C)CCCNC(=O)N1CCN(c2cccc(F)c2)CC1
InChIInChI=1S/C16H25FN4O/c1-19(2)8-4-7-18-16(22)21-11-9-20(10-12-21)15-6-3-5-14(17)13-15/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,22)
InChIKeySFDYZKRZJAOZKN-UHFFFAOYSA-N
XLogP1.61
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.61
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

4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106366
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(3-aminophenyl)-N-butylpiperazine-1-carboxamide
CID 43461735
4-(2-tert-butylphenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106291
2-chloro-1-[4-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 43822500
4-[4-(diethylamino)-2-methylphenyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106359
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
4-(3-acetamidophenyl)-N-butylpiperazine-1-carboxamide
CID 113103906
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
N-[3-(dimethylamino)propyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106309

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide (CID 113106335) is N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide is CN(C)CCCNC(=O)N1CCN(c2cccc(F)c2)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is SFDYZKRZJAOZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-19(2)8-4-7-18-16(22)21-11-9-20(10-12-21)15-6-3-5-14(17)13-15/h3,5-6,13H,4,7-12H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide?
N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-(3-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).