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

C18H19ClN2O4 — CID 38909009

IUPAC(2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O4/c1-13(25-15-6-3-2-5-14(15)19)17(22)20-8-10-21(11-9-20)18(23)16-7-4-12-24-16/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1
InChIKeyQJIBHELPAVTACL-CYBMUJFWSA-N
MW362.81 g/mol
LogP2.68
Rot. Bonds4

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

(2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 38909009) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID38909009
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name(2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O4/c1-13(25-15-6-3-2-5-14(15)19)17(22)20-8-10-21(11-9-20)18(23)16-7-4-12-24-16/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1
InChIKeyQJIBHELPAVTACL-CYBMUJFWSA-N
XLogP2.68
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 17249638
2-(2,4-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 3158299
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108544727
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
(2R)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 51913759
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
(2S)-N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 124542404
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
2-(2-chlorophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)propan-1-one
CID 114680455

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 38909009) is (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is QJIBHELPAVTACL-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-13(25-15-6-3-2-5-14(15)19)17(22)20-8-10-21(11-9-20)18(23)16-7-4-12-24-16/h2-7,12-13H,8-11H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
(2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 362.81 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 38909009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).