N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

C20H28FN3O3 — CID 60614643

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1F
InChIInChI=1S/C20H28FN3O3/c1-20(2,15-6-3-4-7-16(15)21)14-22-19(26)24-11-9-23(10-12-24)18(25)17-8-5-13-27-17/h3-4,6-7,17H,5,8-14H2,1-2H3,(H,22,26)
InChIKeyFPSBAUGMZWWBEI-UHFFFAOYSA-N
MW377.46 g/mol
LogP2.14
Rot. Bonds4

About N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide

N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (PubChem CID 60614643) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
PubChem CID60614643
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1F
InChIInChI=1S/C20H28FN3O3/c1-20(2,15-6-3-4-7-16(15)21)14-22-19(26)24-11-9-23(10-12-24)18(25)17-8-5-13-27-17/h3-4,6-7,17H,5,8-14H2,1-2H3,(H,22,26)
InChIKeyFPSBAUGMZWWBEI-UHFFFAOYSA-N
XLogP2.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302159
2-(2-tert-butylphenoxy)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 78806147
N-[2-(4-fluorophenyl)-2-methylpropyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302895
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
N-[(2-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111302794
3-(2-fluorophenyl)-1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110797569
4-(oxolane-2-carbonyl)-N-(2-phenylbutyl)piperazine-1-carboxamide
CID 86914075
N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111300743
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 110293021
N-(furan-2-ylmethyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 86911870
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-methylpyrrolidine-3-carboxamide
CID 110246573

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide (CID 60614643) is N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is CC(C)(CNC(=O)N1CCN(C(=O)C2CCCO2)CC1)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
The InChIKey is FPSBAUGMZWWBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c1-20(2,15-6-3-4-7-16(15)21)14-22-19(26)24-11-9-23(10-12-24)18(25)17-8-5-13-27-17/h3-4,6-7,17H,5,8-14H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide?
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 60614643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).