2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

C19H21ClN2O4 — CID 1094227

IUPAC2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H21ClN2O4/c1-19(2,26-15-7-5-14(20)6-8-15)18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3
InChIKeyIADOAZIHFBACLL-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.08
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one

2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 1094227) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID1094227
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H21ClN2O4/c1-19(2,26-15-7-5-14(20)6-8-15)18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3
InChIKeyIADOAZIHFBACLL-UHFFFAOYSA-N
XLogP3.08
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
1-[4-(2-Furoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 750519
N-[2-(4-chlorophenoxy)ethyl]furan-2-carboxamide
CID 2302650
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 3158289
Phenyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 3758798
1-[(4-Chlorobenzyl)sulfonyl]-4-(2-furoyl)piperazine
CID 2230064
[2-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2,6-dichlorophenyl)acetate
CID 2335760
N-[2-(4-chlorophenyl)-1-(1-piperidinylcarbonyl)vinyl]-2-furamide
CID 5766751
N-[(4-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6463437
N-[(2-chlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 6464004
N-(3-{[2-(2-chlorophenoxy)acetyl]amino}propyl)-2-furamide
CID 6490920

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one (CID 1094227) is 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is IADOAZIHFBACLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-19(2,26-15-7-5-14(20)6-8-15)18(24)22-11-9-21(10-12-22)17(23)16-4-3-13-25-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one?
2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 376.84 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 1094227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).