(3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide

C14H22F3N3O4S — CID 124848146

IUPAC(3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)CCC(F)(F)F)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)5-9-25(23,24)18-12(21)11-4-3-8-20(10-11)13(22)19-6-1-2-7-19/h11H,1-10H2,(H,18,21)/t11-/m1/s1
InChIKeyMGPJNNLMLHPJLZ-LLVKDONJSA-N
MW385.41 g/mol
LogP1.31
Rot. Bonds4

About (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide

(3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide (PubChem CID 124848146) has the molecular formula C14H22F3N3O4S and a molecular weight of 385.41 g/mol. Its IUPAC name is (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide
PubChem CID124848146
Molecular FormulaC14H22F3N3O4S
Molecular Weight385.41 g/mol
Exact Mass385.13
IUPAC Name(3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide
SMILESO=C(NS(=O)(=O)CCC(F)(F)F)[C@@H]1CCCN(C(=O)N2CCCC2)C1
InChIInChI=1S/C14H22F3N3O4S/c15-14(16,17)5-9-25(23,24)18-12(21)11-4-3-8-20(10-11)13(22)19-6-1-2-7-19/h11H,1-10H2,(H,18,21)/t11-/m1/s1
InChIKeyMGPJNNLMLHPJLZ-LLVKDONJSA-N
XLogP1.31
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-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

N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylsulfonyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 136541036
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
(3S)-N-[(2S)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769502
(3S)-N-[(2R)-2-hydroxy-2-phenylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 95769503
N-[1-(aminomethyl)cyclopentyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 119567885
3-N-(2,2,2-trifluoroethoxy)piperidine-1,3-dicarboxamide
CID 81340627
(3R)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599731
(3S)-1-(cyclopropanecarbonyl)-N-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 95599732
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354
1-(pyrrolidine-1-carbonyl)-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119537419
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
(2R)-4-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119364788

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide (CID 124848146) is (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide is O=C(NS(=O)(=O)CCC(F)(F)F)[C@@H]1CCCN(C(=O)N2CCCC2)C1.
What is the InChIKey of (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide?
The InChIKey is MGPJNNLMLHPJLZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22F3N3O4S/c15-14(16,17)5-9-25(23,24)18-12(21)11-4-3-8-20(10-11)13(22)19-6-1-2-7-19/h11H,1-10H2,(H,18,21)/t11-/m1/s1.
What are the key properties of (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide?
(3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide has a molecular weight of 385.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(pyrrolidine-1-carbonyl)-N-(3,3,3-trifluoropropylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 124848146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).