methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate

C32H36Cl2N2O3 — CID 22995585

IUPACmethyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
SMILESCOC(=O)CC(C)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H36Cl2N2O3/c1-32(22-30(37)39-2,24-7-4-3-5-8-24)17-6-18-36-19-15-27(16-20-36)35-31(38)29-21-26(34)13-14-28(29)23-9-11-25(33)12-10-23/h3-5,7-14,21,27H,6,15-20,22H2,1-2H3,(H,35,38)
InChIKeyBCZXOVIELHOQAF-UHFFFAOYSA-N
MW567.56 g/mol
LogP7.16
Rot. Bonds10

About methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate

methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate (PubChem CID 22995585) has the molecular formula C32H36Cl2N2O3 and a molecular weight of 567.56 g/mol. Its IUPAC name is methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate.

Molecular Properties

Compound Namemethyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
PubChem CID22995585
Molecular FormulaC32H36Cl2N2O3
Molecular Weight567.56 g/mol
Exact Mass566.21
IUPAC Namemethyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
SMILESCOC(=O)CC(C)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C32H36Cl2N2O3/c1-32(22-30(37)39-2,24-7-4-3-5-8-24)17-6-18-36-19-15-27(16-20-36)35-31(38)29-21-26(34)13-14-28(29)23-9-11-25(33)12-10-23/h3-5,7-14,21,27H,6,15-20,22H2,1-2H3,(H,35,38)
InChIKeyBCZXOVIELHOQAF-UHFFFAOYSA-N
XLogP7.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.56
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate with MolForge

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Related Compounds

propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
CID 22995579
6-[4-[(5-chloro-2-phenylbenzoyl)amino]piperidin-1-yl]-3-methyl-3-phenylhexanoic acid
CID 70132830
methyl 3-methyl-3-phenyl-7-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]heptanoate
CID 22995675
methyl 3-methyl-6-[4-[[2-(3-methylphenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995688
ethyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-ethyl-3-phenylhexanoate
CID 22995651
6-[4-[[2-(3-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoic acid
CID 22995511
methyl 6-[4-[[2-(3-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-ethyl-3-phenylhexanoate
CID 22995732
tert-butyl 6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
CID 70030535
2-ethoxyethyl 3-methyl-3-phenyl-6-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]hexanoate
CID 70027950
ethyl 3-methyl-3-phenyl-5-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]pentanoate
CID 22995560
methyl 3-ethyl-3-phenyl-7-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]heptanoate
CID 22995521
methyl 3-ethyl-3-phenyl-5-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]pentanoate
CID 22995535

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
The IUPAC name of methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate (CID 22995585) is methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate.
What is the SMILES notation for methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
The canonical SMILES for methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate is COC(=O)CC(C)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
The InChIKey is BCZXOVIELHOQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Cl2N2O3/c1-32(22-30(37)39-2,24-7-4-3-5-8-24)17-6-18-36-19-15-27(16-20-36)35-31(38)29-21-26(34)13-14-28(29)23-9-11-25(33)12-10-23/h3-5,7-14,21,27H,6,15-20,22H2,1-2H3,(H,35,38).
What are the key properties of methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate has a molecular weight of 567.56 g/mol, XLogP of 7.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate is sourced from PubChem (CID 22995585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).