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

C34H40Cl2N2O3 — CID 22995579

IUPACpropan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
SMILESCC(C)OC(=O)CC(C)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C34H40Cl2N2O3/c1-24(2)41-32(39)23-34(3,26-8-5-4-6-9-26)18-7-19-38-20-16-29(17-21-38)37-33(40)31-22-28(36)14-15-30(31)25-10-12-27(35)13-11-25/h4-6,8-15,22,24,29H,7,16-21,23H2,1-3H3,(H,37,40)
InChIKeyZORNVUWGWOZUSS-UHFFFAOYSA-N
MW595.61 g/mol
LogP7.93
Rot. Bonds11

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

propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate (PubChem CID 22995579) has the molecular formula C34H40Cl2N2O3 and a molecular weight of 595.61 g/mol. Its IUPAC name is propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate.

Molecular Properties

Compound Namepropan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
PubChem CID22995579
Molecular FormulaC34H40Cl2N2O3
Molecular Weight595.61 g/mol
Exact Mass594.24
IUPAC Namepropan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
SMILESCC(C)OC(=O)CC(C)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C34H40Cl2N2O3/c1-24(2)41-32(39)23-34(3,26-8-5-4-6-9-26)18-7-19-38-20-16-29(17-21-38)37-33(40)31-22-28(36)14-15-30(31)25-10-12-27(35)13-11-25/h4-6,8-15,22,24,29H,7,16-21,23H2,1-3H3,(H,37,40)
InChIKeyZORNVUWGWOZUSS-UHFFFAOYSA-N
XLogP7.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.61
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

methyl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
CID 22995585
6-[4-[(5-chloro-2-phenylbenzoyl)amino]piperidin-1-yl]-3-methyl-3-phenylhexanoic acid
CID 70132830
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
propan-2-yl 3-ethyl-6-[4-[[2-(4-ethylphenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995714
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
tert-butyl 6-[4-[[2-(3-fluorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate
CID 70030535
propan-2-yl 3-methyl-6-[4-[methyl-[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995645
propan-2-yl 3-ethyl-6-[4-[[2-(3-methylphenyl)benzoyl]amino]piperidin-1-yl]-3-phenylhexanoate
CID 22995548
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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
The IUPAC name of propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate (CID 22995579) is propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate.
What is the SMILES notation for propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
The canonical SMILES for propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate is CC(C)OC(=O)CC(C)(CCCN1CCC(NC(=O)c2cc(Cl)ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
The InChIKey is ZORNVUWGWOZUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40Cl2N2O3/c1-24(2)41-32(39)23-34(3,26-8-5-4-6-9-26)18-7-19-38-20-16-29(17-21-38)37-33(40)31-22-28(36)14-15-30(31)25-10-12-27(35)13-11-25/h4-6,8-15,22,24,29H,7,16-21,23H2,1-3H3,(H,37,40).
What are the key properties of propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate?
propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate has a molecular weight of 595.61 g/mol, XLogP of 7.93, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[4-[[5-chloro-2-(4-chlorophenyl)benzoyl]amino]piperidin-1-yl]-3-methyl-3-phenylhexanoate is sourced from PubChem (CID 22995579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).