(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

C18H26FN3O2 — CID 95968686

IUPAC(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)Oc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-14(24-17-7-3-2-6-16(17)19)12-20-18(23)22-11-8-15(13-22)21-9-4-5-10-21/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyYNNXTDIVPLWCLZ-HUUCEWRRSA-N
MW335.42 g/mol
LogP2.47
Rot. Bonds5

About (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide

(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (PubChem CID 95968686) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
PubChem CID95968686
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)Oc1ccccc1F
InChIInChI=1S/C18H26FN3O2/c1-14(24-17-7-3-2-6-16(17)19)12-20-18(23)22-11-8-15(13-22)21-9-4-5-10-21/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyYNNXTDIVPLWCLZ-HUUCEWRRSA-N
XLogP2.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 95968684
N-[2-(4-fluorophenoxy)propyl]-N'-methyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide
CID 111993717
N-[2-(2-fluorophenoxy)propyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111502101
(3R)-3-hydroxy-N-[2-(2-methylphenoxy)propyl]piperidine-1-carboxamide
CID 167822127
(3R)-N-[(2R)-2-(2-fluorophenoxy)butyl]-3-hydroxypiperidine-1-carboxamide
CID 97025731
2-(2,5-dimethylpyrrolidin-1-yl)-N-[2-(2-fluorophenoxy)propyl]propanamide
CID 75423099
N-[2-(2-fluorophenoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119335715
(3R)-N-[(2-chloro-6-fluorophenyl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 125130031
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 78888436
9-amino-N-[2-(2-fluorophenoxy)propyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991075
1-(2-phenoxypropylcarbamoyl)piperidine-4-carboxylic acid
CID 122002152
1-(2-phenoxypropylcarbamoyl)piperidine-3-carboxylic acid
CID 122002158

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide (CID 95968686) is (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is C[C@H](CNC(=O)N1CC[C@@H](N2CCCC2)C1)Oc1ccccc1F.
What is the InChIKey of (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
The InChIKey is YNNXTDIVPLWCLZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(24-17-7-3-2-6-16(17)19)12-20-18(23)22-11-8-15(13-22)21-9-4-5-10-21/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide?
(3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2R)-2-(2-fluorophenoxy)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 95968686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).