methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate

C27H32Cl2N2O5 — CID 134355651

IUPACmethyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H32Cl2N2O5/c1-35-21-7-3-19(4-8-21)16-24(27(34)36-2)30-25(32)17-20-11-13-31(14-12-20)26(33)10-6-18-5-9-22(28)23(29)15-18/h3-5,7-9,15,20,24H,6,10-14,16-17H2,1-2H3,(H,30,32)
InChIKeySXILRLPURBQJLW-UHFFFAOYSA-N
MW535.47 g/mol
LogP4.46
Rot. Bonds10

About methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate

methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 134355651) has the molecular formula C27H32Cl2N2O5 and a molecular weight of 535.47 g/mol. Its IUPAC name is methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
PubChem CID134355651
Molecular FormulaC27H32Cl2N2O5
Molecular Weight535.47 g/mol
Exact Mass534.17
IUPAC Namemethyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(OC)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C27H32Cl2N2O5/c1-35-21-7-3-19(4-8-21)16-24(27(34)36-2)30-25(32)17-20-11-13-31(14-12-20)26(33)10-6-18-5-9-22(28)23(29)15-18/h3-5,7-9,15,20,24H,6,10-14,16-17H2,1-2H3,(H,30,32)
InChIKeySXILRLPURBQJLW-UHFFFAOYSA-N
XLogP4.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-3-cyclohexyl-2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]propanoate
CID 139497422
methyl (2S)-3-(4-methoxyphenyl)-2-[[2-[1-[3-[4-(1-methylpyrazol-4-yl)phenyl]propanoyl]piperidin-4-yl]acetyl]amino]propanoate
CID 139497509
methyl 2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-[4-(2-methylpropoxy)phenyl]propanoate
CID 153344303
methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-[4-(2-methylpropoxy)phenyl]propanoate
CID 139497545
methyl (2S)-2-[[2-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 134355648
methyl (2S)-3-(4-phenylmethoxyphenyl)-2-[[2-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetyl]amino]propanoate
CID 139497359
methyl 3-(4-phenylmethoxyphenyl)-2-[[2-[1-[3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]acetyl]amino]propanoate
CID 142307837
methyl (2S)-2-[[2-[1-[3-(4-cyanophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 134355798
(2S)-2-[[2-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 134355788
benzyl 4-[2-[[(2S)-1-methoxy-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 134355688
methyl (2S)-2-[[2-[4-[[2-(3,4-dichlorophenyl)acetyl]amino]cyclohexyl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 134355822
(2S)-2-[[2-[1-[3-(4-ethoxyphenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 134349070

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate (CID 134355651) is methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate is COC(=O)C(Cc1ccc(OC)cc1)NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is SXILRLPURBQJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N2O5/c1-35-21-7-3-19(4-8-21)16-24(27(34)36-2)30-25(32)17-20-11-13-31(14-12-20)26(33)10-6-18-5-9-22(28)23(29)15-18/h3-5,7-9,15,20,24H,6,10-14,16-17H2,1-2H3,(H,30,32).
What are the key properties of methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate?
methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 535.47 g/mol, XLogP of 4.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[1-[3-(3,4-dichlorophenyl)propanoyl]piperidin-4-yl]acetyl]amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 134355651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).