[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate

C29H34Cl2N4O4 — CID 68566412

IUPAC[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(C(=O)CN(C2CCCCC2)C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CC1
InChIInChI=1S/C29H34Cl2N4O4/c30-20-6-4-5-19(15-20)17-29(24-10-9-21(31)16-25(24)33-27(29)37)35(22-7-2-1-3-8-22)18-26(36)34-13-11-23(12-14-34)39-28(32)38/h4-6,9-10,15-16,22-23H,1-3,7-8,11-14,17-18H2,(H2,32,38)(H,33,37)
InChIKeyAYJQAKZMLLVXFJ-UHFFFAOYSA-N
MW573.52 g/mol
LogP5.10
Rot. Bonds7

About [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate

[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate (PubChem CID 68566412) has the molecular formula C29H34Cl2N4O4 and a molecular weight of 573.52 g/mol. Its IUPAC name is [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate
PubChem CID68566412
Molecular FormulaC29H34Cl2N4O4
Molecular Weight573.52 g/mol
Exact Mass572.20
IUPAC Name[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate
SMILESNC(=O)OC1CCN(C(=O)CN(C2CCCCC2)C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CC1
InChIInChI=1S/C29H34Cl2N4O4/c30-20-6-4-5-19(15-20)17-29(24-10-9-21(31)16-25(24)33-27(29)37)35(22-7-2-1-3-8-22)18-26(36)34-13-11-23(12-14-34)39-28(32)38/h4-6,9-10,15-16,22-23H,1-3,7-8,11-14,17-18H2,(H2,32,38)(H,33,37)
InChIKeyAYJQAKZMLLVXFJ-UHFFFAOYSA-N
XLogP5.10
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.52
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate?
The IUPAC name of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate (CID 68566412) is [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate?
The canonical SMILES for [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate is NC(=O)OC1CCN(C(=O)CN(C2CCCCC2)C2(Cc3cccc(Cl)c3)C(=O)Nc3cc(Cl)ccc32)CC1.
What is the InChIKey of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate?
The InChIKey is AYJQAKZMLLVXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34Cl2N4O4/c30-20-6-4-5-19(15-20)17-29(24-10-9-21(31)16-25(24)33-27(29)37)35(22-7-2-1-3-8-22)18-26(36)34-13-11-23(12-14-34)39-28(32)38/h4-6,9-10,15-16,22-23H,1-3,7-8,11-14,17-18H2,(H2,32,38)(H,33,37).
What are the key properties of [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate?
[1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate has a molecular weight of 573.52 g/mol, XLogP of 5.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]-cyclohexylamino]acetyl]piperidin-4-yl] carbamate is sourced from PubChem (CID 68566412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).