4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide

C15H22FN3O3S — CID 110811161

IUPAC4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-2-7-17-15(20)18-8-10-19(11-9-18)23(21,22)12-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3,(H,17,20)
InChIKeyGGQVAEVSZWUVBC-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.39
Rot. Bonds5

About 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide

4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110811161) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
PubChem CID110811161
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC Name4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O3S/c1-2-7-17-15(20)18-8-10-19(11-9-18)23(21,22)12-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3,(H,17,20)
InChIKeyGGQVAEVSZWUVBC-UHFFFAOYSA-N
XLogP1.39
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylphenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811156
4-[(4-fluorophenyl)methylsulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811162
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
CID 110421794
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
4-[2-(4-fluorophenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110811568
N-ethyl-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]acetamide
CID 37307741
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811098
[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110365411
4-benzylsulfonyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27539558
4-(4-fluoro-2-methylphenyl)sulfonyl-N-propyl-1,4-diazepane-1-carboxamide
CID 110811980
4-(2,4-difluorobenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812532
N-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]acetamide
CID 49458586

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide (CID 110811161) is 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is GGQVAEVSZWUVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-2-7-17-15(20)18-8-10-19(11-9-18)23(21,22)12-13-3-5-14(16)6-4-13/h3-6H,2,7-12H2,1H3,(H,17,20).
What are the key properties of 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide?
4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110811161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).