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

C17H27FN4O — CID 113106114

IUPAC4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCN(C)CCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN4O/c1-20(2)8-3-9-21-10-12-22(13-11-21)17(23)19-14-15-4-6-16(18)7-5-15/h4-7H,3,8-14H2,1-2H3,(H,19,23)
InChIKeyGAWYAHIWARRRSU-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.60
Rot. Bonds6

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

4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106114) has the molecular formula C17H27FN4O and a molecular weight of 322.43 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID113106114
Molecular FormulaC17H27FN4O
Molecular Weight322.43 g/mol
Exact Mass322.22
IUPAC Name4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCN(C)CCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN4O/c1-20(2)8-3-9-21-10-12-22(13-11-21)17(23)19-14-15-4-6-16(18)7-5-15/h4-7H,3,8-14H2,1-2H3,(H,19,23)
InChIKeyGAWYAHIWARRRSU-UHFFFAOYSA-N
XLogP1.60
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminoethyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108867667
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide
CID 71783480
N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105659
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
4,4-difluoro-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 154575378
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 113106114) is 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is CN(C)CCCN1CCN(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is GAWYAHIWARRRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN4O/c1-20(2)8-3-9-21-10-12-22(13-11-21)17(23)19-14-15-4-6-16(18)7-5-15/h4-7H,3,8-14H2,1-2H3,(H,19,23).
What are the key properties of 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).