N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide

C20H30FN3O3 — CID 86911809

IUPACN,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O3/c1-5-23(6-2)18(25)15-22-11-13-24(14-12-22)19(26)20(3,4)27-17-9-7-16(21)8-10-17/h7-10H,5-6,11-15H2,1-4H3
InChIKeyOPSYZXBFUSDYNI-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.00
Rot. Bonds7

About N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide (PubChem CID 86911809) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide
PubChem CID86911809
Molecular FormulaC20H30FN3O3
Molecular Weight379.48 g/mol
Exact Mass379.23
IUPAC NameN,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C20H30FN3O3/c1-5-23(6-2)18(25)15-22-11-13-24(14-12-22)19(26)20(3,4)27-17-9-7-16(21)8-10-17/h7-10H,5-6,11-15H2,1-4H3
InChIKeyOPSYZXBFUSDYNI-UHFFFAOYSA-N
XLogP2.00
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
CID 110346381
2-(4-fluorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 60956642
4-[1-(4-ethylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]oxybenzaldehyde
CID 154645973
methyl 1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidine-4-carboxylate
CID 86977288
1-[2-(4-fluorophenoxy)-2-methylpropanoyl]-1,4-diazepan-5-one
CID 62046418
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 154646222
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-(4-fluorophenoxy)-1-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 43403393
N,N-diethyl-2-[4-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 55447120
4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-2-one
CID 60656740
N-cyclopropyl-N-ethyl-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 78877418
N-ethyl-2-(4-fluorophenoxy)-N,2-dimethylpropanamide
CID 86927380

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide (CID 86911809) is N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)C(C)(C)Oc2ccc(F)cc2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide?
The InChIKey is OPSYZXBFUSDYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-5-23(6-2)18(25)15-22-11-13-24(14-12-22)19(26)20(3,4)27-17-9-7-16(21)8-10-17/h7-10H,5-6,11-15H2,1-4H3.
What are the key properties of N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide has a molecular weight of 379.48 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 86911809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).