(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C17H24FN3O2 — CID 97249227

IUPAC(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC[C@@H]1CO
InChIInChI=1S/C17H24FN3O2/c18-15-7-1-2-8-16(15)20-9-3-5-13(11-20)19-17(23)21-10-4-6-14(21)12-22/h1-2,7-8,13-14,22H,3-6,9-12H2,(H,19,23)/t13-,14-/m1/s1
InChIKeyQDFQOKTZNOXMKQ-ZIAGYGMSSA-N
MW321.40 g/mol
LogP1.96
Rot. Bonds3

About (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 97249227) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID97249227
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC[C@@H]1CO
InChIInChI=1S/C17H24FN3O2/c18-15-7-1-2-8-16(15)20-9-3-5-13(11-20)19-17(23)21-10-4-6-14(21)12-22/h1-2,7-8,13-14,22H,3-6,9-12H2,(H,19,23)/t13-,14-/m1/s1
InChIKeyQDFQOKTZNOXMKQ-ZIAGYGMSSA-N
XLogP1.96
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-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-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
(2R)-N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]-2-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 126825382
2-[acetyl(methyl)amino]-N-[1-(2-fluorophenyl)piperidin-3-yl]acetamide
CID 136518581
(2S)-2-(hydroxymethyl)-N-[(3S)-1-(2-phenoxyacetyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 124743744
N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
CID 166237838
2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615432
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
1-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-3-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 99850766
(3aS,6aR)-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 128683584
N-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110013234
N-[1-(2-fluorophenyl)piperidin-3-yl]pyrimidin-2-amine
CID 133411829

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 97249227) is (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is QDFQOKTZNOXMKQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-15-7-1-2-8-16(15)20-9-3-5-13(11-20)19-17(23)21-10-4-6-14(21)12-22/h1-2,7-8,13-14,22H,3-6,9-12H2,(H,19,23)/t13-,14-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97249227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).