(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide

C17H24FN3O3S — CID 92633582

IUPAC(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H24FN3O3S/c1-20-9-7-15(8-10-20)19-17(22)13-6-11-21(12-13)25(23,24)16-4-2-14(18)3-5-16/h2-5,13,15H,6-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyIAJXSOWJSKLDRJ-CYBMUJFWSA-N
MW369.46 g/mol
LogP1.05
Rot. Bonds4

About (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 92633582) has the molecular formula C17H24FN3O3S and a molecular weight of 369.46 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID92633582
Molecular FormulaC17H24FN3O3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESCN1CCC(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1
InChIInChI=1S/C17H24FN3O3S/c1-20-9-7-15(8-10-20)19-17(22)13-6-11-21(12-13)25(23,24)16-4-2-14(18)3-5-16/h2-5,13,15H,6-12H2,1H3,(H,19,22)/t13-/m1/s1
InChIKeyIAJXSOWJSKLDRJ-CYBMUJFWSA-N
XLogP1.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-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

(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
1-(4-ethoxyphenyl)sulfonyl-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 99967818
1-(2-bromophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 175667703
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27673196
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 55859239
1-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 53289357
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436
1-(4-fluorophenyl)sulfonyl-N-(2-methylbutan-2-yl)piperidine-4-carboxamide
CID 1455647

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 92633582) is (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide is CN1CCC(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is IAJXSOWJSKLDRJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24FN3O3S/c1-20-9-7-15(8-10-20)19-17(22)13-6-11-21(12-13)25(23,24)16-4-2-14(18)3-5-16/h2-5,13,15H,6-12H2,1H3,(H,19,22)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92633582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).