4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide

C18H26FN3O3 — CID 136513665

IUPAC4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
SMILESCC(COC1CCOC1)NC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O3/c1-14(12-25-15-6-11-24-13-15)20-18(23)22-9-7-21(8-10-22)17-5-3-2-4-16(17)19/h2-5,14-15H,6-13H2,1H3,(H,20,23)
InChIKeyDRTZGIZPDIGJAI-UHFFFAOYSA-N
MW351.42 g/mol
LogP1.85
Rot. Bonds5

About 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide

4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide (PubChem CID 136513665) has the molecular formula C18H26FN3O3 and a molecular weight of 351.42 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
PubChem CID136513665
Molecular FormulaC18H26FN3O3
Molecular Weight351.42 g/mol
Exact Mass351.20
IUPAC Name4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide
SMILESCC(COC1CCOC1)NC(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H26FN3O3/c1-14(12-25-15-6-11-24-13-15)20-18(23)22-9-7-21(8-10-22)17-5-3-2-4-16(17)19/h2-5,14-15H,6-13H2,1H3,(H,20,23)
InChIKeyDRTZGIZPDIGJAI-UHFFFAOYSA-N
XLogP1.85
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-[(3S)-oxolan-3-yl]oxypropan-2-yl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129381643
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
(3S,4R)-3,4-dimethyl-N-[(2R)-1-[(3R)-oxolan-3-yl]oxypropan-2-yl]piperidine-1-carboxamide
CID 124777099
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
1-(2-fluorophenyl)-N-(1-methoxypropan-2-yl)piperidine-4-carboxamide
CID 17152731
[4-(2-fluorophenyl)piperazin-1-yl]-[6-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]methanone
CID 100729895
N-benzhydryl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108867571
4-(2-fluorophenyl)-N-[1-(4-hydroxyphenoxy)ethyl]piperazine-1-carboxamide
CID 108871212
N-[1-(4-chlorophenoxy)ethyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108880006
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide (CID 136513665) is 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide is CC(COC1CCOC1)NC(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is DRTZGIZPDIGJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3/c1-14(12-25-15-6-11-24-13-15)20-18(23)22-9-7-21(8-10-22)17-5-3-2-4-16(17)19/h2-5,14-15H,6-13H2,1H3,(H,20,23).
What are the key properties of 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 351.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[1-(oxolan-3-yloxy)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 136513665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).