1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide

C20H30FN3O — CID 110620590

IUPAC1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCN1Cc1ccccc1F)N1CCCCC1
InChIInChI=1S/C20H30FN3O/c1-16(23-11-5-2-6-12-23)14-22-20(25)19-10-7-13-24(19)15-17-8-3-4-9-18(17)21/h3-4,8-9,16,19H,2,5-7,10-15H2,1H3,(H,22,25)
InChIKeyQGBRILPYVIQJDH-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.78
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide

1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 110620590) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID110620590
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESCC(CNC(=O)C1CCCN1Cc1ccccc1F)N1CCCCC1
InChIInChI=1S/C20H30FN3O/c1-16(23-11-5-2-6-12-23)14-22-20(25)19-10-7-13-24(19)15-17-8-3-4-9-18(17)21/h3-4,8-9,16,19H,2,5-7,10-15H2,1H3,(H,22,25)
InChIKeyQGBRILPYVIQJDH-UHFFFAOYSA-N
XLogP2.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-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

1-[(2-fluorophenyl)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 110621560
N-[2-(dimethylamino)-2-phenylethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110620905
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(2-fluorophenyl)methyl]-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidine-2-carboxamide
CID 110611908
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 110632719
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
2-fluoro-6-hydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 104916991
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(2-fluorophenyl)methyl]-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 133234574
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
1-benzyl-N-[2-(methylamino)propyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120829939
2-(2-hydroxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 78916880

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide (CID 110620590) is 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide is CC(CNC(=O)C1CCCN1Cc1ccccc1F)N1CCCCC1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is QGBRILPYVIQJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-16(23-11-5-2-6-12-23)14-22-20(25)19-10-7-13-24(19)15-17-8-3-4-9-18(17)21/h3-4,8-9,16,19H,2,5-7,10-15H2,1H3,(H,22,25).
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide?
1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-(2-piperidin-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110620590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).