methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate

C21H24ClN3O5 — CID 55821872

IUPACmethyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(C(=O)CNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C21H24ClN3O5/c1-14-15(7-12-30-14)20(27)23-13-18(26)24-8-10-25(11-9-24)19(21(28)29-2)16-5-3-4-6-17(16)22/h3-7,12,19H,8-11,13H2,1-2H3,(H,23,27)
InChIKeyQSSZJQXNMQWWAR-UHFFFAOYSA-N
MW433.89 g/mol
LogP2.03
Rot. Bonds6

About methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate

methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate (PubChem CID 55821872) has the molecular formula C21H24ClN3O5 and a molecular weight of 433.89 g/mol. Its IUPAC name is methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate
PubChem CID55821872
Molecular FormulaC21H24ClN3O5
Molecular Weight433.89 g/mol
Exact Mass433.14
IUPAC Namemethyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate
SMILESCOC(=O)C(c1ccccc1Cl)N1CCN(C(=O)CNC(=O)c2ccoc2C)CC1
InChIInChI=1S/C21H24ClN3O5/c1-14-15(7-12-30-14)20(27)23-13-18(26)24-8-10-25(11-9-24)19(21(28)29-2)16-5-3-4-6-17(16)22/h3-7,12,19H,8-11,13H2,1-2H3,(H,23,27)
InChIKeyQSSZJQXNMQWWAR-UHFFFAOYSA-N
XLogP2.03
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-(2-chlorophenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetate
CID 25471955
methyl (2S)-2-[4-[(2S)-2-[(2-chlorobenzoyl)amino]propanoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 31882195
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
methyl 2-[4-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 55532998
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55851005
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55830266
methyl 2-(2-chlorophenyl)-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetate
CID 43049793
methyl 2-(2-chlorophenyl)-2-[4-[2-(2-nitrophenoxy)acetyl]piperazin-1-yl]acetate
CID 55473804
methyl (2S)-2-[4-[(2S)-2-acetamido-3-methylbutanoyl]piperazin-1-yl]-2-(2-chlorophenyl)acetate
CID 37140293
methyl 2-(2-chlorophenyl)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]acetate
CID 24602989
methyl 2-(2-chlorophenyl)-2-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]acetate
CID 55492463
methyl 2-(2-chlorophenyl)-2-(4-sulfanylpiperidin-1-yl)acetate;hydrochloride
CID 23000853

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate (CID 55821872) is methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate is COC(=O)C(c1ccccc1Cl)N1CCN(C(=O)CNC(=O)c2ccoc2C)CC1.
What is the InChIKey of methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate?
The InChIKey is QSSZJQXNMQWWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5/c1-14-15(7-12-30-14)20(27)23-13-18(26)24-8-10-25(11-9-24)19(21(28)29-2)16-5-3-4-6-17(16)22/h3-7,12,19H,8-11,13H2,1-2H3,(H,23,27).
What are the key properties of methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate?
methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate has a molecular weight of 433.89 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenyl)-2-[4-[2-[(2-methylfuran-3-carbonyl)amino]acetyl]piperazin-1-yl]acetate is sourced from PubChem (CID 55821872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).