ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate

C24H26ClN3O3 — CID 41108922

IUPACethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C24H26ClN3O3/c1-2-31-24(30)27-13-11-26(12-14-27)23(29)15-19-17-28(22-6-4-3-5-21(19)22)16-18-7-9-20(25)10-8-18/h3-10,17H,2,11-16H2,1H3
InChIKeyYZIWILWAAXCOPW-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.19
Rot. Bonds5

About ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate (PubChem CID 41108922) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
PubChem CID41108922
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Nameethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C24H26ClN3O3/c1-2-31-24(30)27-13-11-26(12-14-27)23(29)15-19-17-28(22-6-4-3-5-21(19)22)16-18-7-9-20(25)10-8-18/h3-10,17H,2,11-16H2,1H3
InChIKeyYZIWILWAAXCOPW-UHFFFAOYSA-N
XLogP4.19
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperidine-4-carboxylate
CID 41108918
ethyl 4-[2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 23827061
1-(azepan-1-yl)-2-[1-[(3-chlorophenyl)methyl]indol-3-yl]ethanone
CID 12004832
2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylethanone
CID 25031483
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-cyclopropylacetamide
CID 41108991
1-[2-(1-benzylindol-3-yl)acetyl]piperidine-4-carboxamide
CID 41108899
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(3-methylphenyl)acetamide
CID 41108967
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
2-[1-[(3,5-dimethoxyphenyl)methyl]indol-3-yl]-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 16827128
3-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 20899811
ethyl 4-[2-(1-benzofuran-3-yl)acetyl]piperazine-1-carboxylate
CID 110854089
ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate
CID 39313356

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate (CID 41108922) is ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is YZIWILWAAXCOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-2-31-24(30)27-13-11-26(12-14-27)23(29)15-19-17-28(22-6-4-3-5-21(19)22)16-18-7-9-20(25)10-8-18/h3-10,17H,2,11-16H2,1H3.
What are the key properties of ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 439.94 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 41108922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).