N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

C19H28FN3O2 — CID 75444903

IUPACN-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCN1CCC(NC(=O)N2CCCCC2CCO)C1c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2/c1-22-12-9-17(18(22)14-5-7-15(20)8-6-14)21-19(25)23-11-3-2-4-16(23)10-13-24/h5-8,16-18,24H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyMIMUTVFWZCEJBN-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.52
Rot. Bonds4

About N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide

N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 75444903) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID75444903
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC NameN-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCN1CCC(NC(=O)N2CCCCC2CCO)C1c1ccc(F)cc1
InChIInChI=1S/C19H28FN3O2/c1-22-12-9-17(18(22)14-5-7-15(20)8-6-14)21-19(25)23-11-3-2-4-16(23)10-13-24/h5-8,16-18,24H,2-4,9-13H2,1H3,(H,21,25)
InChIKeyMIMUTVFWZCEJBN-UHFFFAOYSA-N
XLogP2.52
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 75444903) is N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is CN1CCC(NC(=O)N2CCCCC2CCO)C1c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is MIMUTVFWZCEJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-22-12-9-17(18(22)14-5-7-15(20)8-6-14)21-19(25)23-11-3-2-4-16(23)10-13-24/h5-8,16-18,24H,2-4,9-13H2,1H3,(H,21,25).
What are the key properties of N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-1-methylpyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75444903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).