1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine

C17H23FN2O4S — CID 167925418

IUPAC1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine
SMILESC=CCC1N(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CCCC1(C)C
InChIInChI=1S/C17H23FN2O4S/c1-4-6-15-17(2,3)11-5-12-20(15)16(21)19-13-7-9-14(10-8-13)24-25(18,22)23/h4,7-10,15H,1,5-6,11-12H2,2-3H3,(H,19,21)
InChIKeyMPINRHJORNRVQU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.88
Rot. Bonds5

About 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine

1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine (PubChem CID 167925418) has the molecular formula C17H23FN2O4S and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine.

Molecular Properties

Compound Name1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine
PubChem CID167925418
Molecular FormulaC17H23FN2O4S
Molecular Weight370.45 g/mol
Exact Mass370.14
IUPAC Name1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine
SMILESC=CCC1N(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CCCC1(C)C
InChIInChI=1S/C17H23FN2O4S/c1-4-6-15-17(2,3)11-5-12-20(15)16(21)19-13-7-9-14(10-8-13)24-25(18,22)23/h4,7-10,15H,1,5-6,11-12H2,2-3H3,(H,19,21)
InChIKeyMPINRHJORNRVQU-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine 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

2-[4-(3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl)phenoxy]acetic acid
CID 136554249
4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane
CID 154872184
[(2S)-1-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 125139241
4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
CID 118566531
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
2-(4-ethoxyphenyl)-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 86987525
5-fluoro-2-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline
CID 154872341
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
(2S)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97334553
(2R)-N-[4-(2-methoxyphenoxy)phenyl]-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97334552
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine?
The IUPAC name of 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine (CID 167925418) is 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine.
What is the SMILES notation for 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine?
The canonical SMILES for 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine is C=CCC1N(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CCCC1(C)C.
What is the InChIKey of 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine?
The InChIKey is MPINRHJORNRVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4S/c1-4-6-15-17(2,3)11-5-12-20(15)16(21)19-13-7-9-14(10-8-13)24-25(18,22)23/h4,7-10,15H,1,5-6,11-12H2,2-3H3,(H,19,21).
What are the key properties of 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine?
1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine has a molecular weight of 370.45 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine is sourced from PubChem (CID 167925418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).