(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide

C18H26FN3O2 — CID 9322199

IUPAC(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)N1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C18H26FN3O2/c1-14(18(23)20-17-7-3-2-6-16(17)19)22-10-8-21(9-11-22)13-15-5-4-12-24-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyHAKZMUVOZKDARQ-HUUCEWRRSA-N
MW335.42 g/mol
LogP1.95
Rot. Bonds5

About (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide

(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 9322199) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
PubChem CID9322199
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)Nc1ccccc1F)N1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C18H26FN3O2/c1-14(18(23)20-17-7-3-2-6-16(17)19)22-10-8-21(9-11-22)13-15-5-4-12-24-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-,15-/m1/s1
InChIKeyHAKZMUVOZKDARQ-HUUCEWRRSA-N
XLogP1.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(4-bromophenyl)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9461104
(2S)-N-(4-bromophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide
CID 9461108
(2R)-2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 9466788
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
(2R)-N-(2-fluorophenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30724639
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 55091476
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421
(2R)-2-[4-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 98605932
N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 51168075
(2S)-N-(2-methylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 92513883
N-(2-fluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543632
N-(2-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46673136

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide (CID 9322199) is (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide is C[C@H](C(=O)Nc1ccccc1F)N1CCN(C[C@H]2CCCO2)CC1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is HAKZMUVOZKDARQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(18(23)20-17-7-3-2-6-16(17)19)22-10-8-21(9-11-22)13-15-5-4-12-24-15/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/t14-,15-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide?
(2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 335.42 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9322199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).