4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide

C16H24FN3O — CID 110413646

IUPAC4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O/c1-18(2)16(21)20-12-10-19(11-13-20)9-3-4-14-5-7-15(17)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyWDRQZBKEQPDQRD-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds4

About 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 110413646) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID110413646
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H24FN3O/c1-18(2)16(21)20-12-10-19(11-13-20)9-3-4-14-5-7-15(17)8-6-14/h5-8H,3-4,9-13H2,1-2H3
InChIKeyWDRQZBKEQPDQRD-UHFFFAOYSA-N
XLogP2.06
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110290641
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582
4-[3-(3-chlorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413921
[4-[4-(4-fluorophenyl)butyl]piperazin-1-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 70381756
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
4-[4-(4-fluorophenyl)butyl]piperazine-1-carbothioamide
CID 88622308
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
4-[3-(dimethylamino)propyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113106114
1-[3-(4-fluorophenyl)propyl]piperidin-4-ol
CID 21180751

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide (CID 110413646) is 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(CCCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is WDRQZBKEQPDQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-18(2)16(21)20-12-10-19(11-13-20)9-3-4-14-5-7-15(17)8-6-14/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110413646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).