methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate

C18H19ClN2O4 — CID 43063623

IUPACmethyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O4/c1-24-18(23)16(13-4-6-14(19)7-5-13)20-8-10-21(11-9-20)17(22)15-3-2-12-25-15/h2-7,12,16H,8-11H2,1H3
InChIKeyWWANMQSHZZOJDU-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.61
Rot. Bonds4

About methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate

methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate (PubChem CID 43063623) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
PubChem CID43063623
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Namemethyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H19ClN2O4/c1-24-18(23)16(13-4-6-14(19)7-5-13)20-8-10-21(11-9-20)17(22)15-3-2-12-25-15/h2-7,12,16H,8-11H2,1H3
InChIKeyWWANMQSHZZOJDU-UHFFFAOYSA-N
XLogP2.61
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-chlorophenyl)-2-[4-[2-(furan-2-carbonylamino)-3-methylbutanoyl]piperazin-1-yl]acetate
CID 43063811
(2R)-2-(4-chlorophenyl)-N-cyclopentyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 93156034
methyl 2-(4-chlorophenyl)-2-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetate
CID 78866443
methyl 2-(4-chlorophenyl)-2-[4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]acetate
CID 43063634
methyl 2-(4-chlorophenyl)-2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]acetate
CID 46431394
methyl 2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 43063817
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
[4-[(2S)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 25359245
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
methyl 2-(4-chlorophenyl)-2-[4-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]acetate
CID 43070844
methyl 2-[4-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate
CID 46431466
[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24792379

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate (CID 43063623) is methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate is COC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
The InChIKey is WWANMQSHZZOJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-24-18(23)16(13-4-6-14(19)7-5-13)20-8-10-21(11-9-20)17(22)15-3-2-12-25-15/h2-7,12,16H,8-11H2,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate has a molecular weight of 362.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 43063623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).