methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate

C21H23ClN2O5 — CID 55802914

IUPACmethyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23ClN2O5/c1-28-19(25)14-24(13-15-4-6-17(22)7-5-15)20(26)16-8-10-23(11-9-16)21(27)18-3-2-12-29-18/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyPNWVKKXPCLKOLR-UHFFFAOYSA-N
MW418.88 g/mol
LogP2.99
Rot. Bonds6

About methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate

methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate (PubChem CID 55802914) has the molecular formula C21H23ClN2O5 and a molecular weight of 418.88 g/mol. Its IUPAC name is methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate
PubChem CID55802914
Molecular FormulaC21H23ClN2O5
Molecular Weight418.88 g/mol
Exact Mass418.13
IUPAC Namemethyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23ClN2O5/c1-28-19(25)14-24(13-15-4-6-17(22)7-5-15)20(26)16-8-10-23(11-9-16)21(27)18-3-2-12-29-18/h2-7,12,16H,8-11,13-14H2,1H3
InChIKeyPNWVKKXPCLKOLR-UHFFFAOYSA-N
XLogP2.99
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate
CID 55802844
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
methyl 2-[(4-chlorophenyl)methyl-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 55802951
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 51211332
N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 33354399
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17477799
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 55395534
methyl 2-[1-(furan-2-carbonyl)pyrrolidin-3-yl]sulfanylacetate
CID 86264218
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
ethyl 5-[4-[benzyl-(2-methoxy-2-oxoethyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate
CID 55992721
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate (CID 55802914) is methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate is COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate?
The InChIKey is PNWVKKXPCLKOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5/c1-28-19(25)14-24(13-15-4-6-17(22)7-5-15)20(26)16-8-10-23(11-9-16)21(27)18-3-2-12-29-18/h2-7,12,16H,8-11,13-14H2,1H3.
What are the key properties of methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate?
methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate has a molecular weight of 418.88 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chlorophenyl)methyl-[1-(furan-2-carbonyl)piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 55802914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).