N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide

C24H27Cl2N3O2 — CID 54112811

IUPACN-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide
SMILESCOc1ccc2[nH]cc(C(C)C3CCN(CC(=O)Nc4c(Cl)cccc4Cl)CC3)c2c1
InChIInChI=1S/C24H27Cl2N3O2/c1-15(19-13-27-22-7-6-17(31-2)12-18(19)22)16-8-10-29(11-9-16)14-23(30)28-24-20(25)4-3-5-21(24)26/h3-7,12-13,15-16,27H,8-11,14H2,1-2H3,(H,28,30)
InChIKeyNIGUICNBLHJCNZ-UHFFFAOYSA-N
MW460.41 g/mol
LogP5.94
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide

N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide (PubChem CID 54112811) has the molecular formula C24H27Cl2N3O2 and a molecular weight of 460.41 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide
PubChem CID54112811
Molecular FormulaC24H27Cl2N3O2
Molecular Weight460.41 g/mol
Exact Mass459.15
IUPAC NameN-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide
SMILESCOc1ccc2[nH]cc(C(C)C3CCN(CC(=O)Nc4c(Cl)cccc4Cl)CC3)c2c1
InChIInChI=1S/C24H27Cl2N3O2/c1-15(19-13-27-22-7-6-17(31-2)12-18(19)22)16-8-10-29(11-9-16)14-23(30)28-24-20(25)4-3-5-21(24)26/h3-7,12-13,15-16,27H,8-11,14H2,1-2H3,(H,28,30)
InChIKeyNIGUICNBLHJCNZ-UHFFFAOYSA-N
XLogP5.94
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.41
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209712
(2R)-2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 29132596
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
(2R)-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 29139197
3-[cyclohexyl(pyrrolidin-1-yl)methyl]-5-methoxy-1H-indole
CID 110453549
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
ethyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate
CID 3343079
ethyl 3-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate
CID 3470366
N-(2,6-dichlorophenyl)-3-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 30101864
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113209654
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
N-(2,6-dichlorophenyl)-3-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 24589296

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide (CID 54112811) is N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide is COc1ccc2[nH]cc(C(C)C3CCN(CC(=O)Nc4c(Cl)cccc4Cl)CC3)c2c1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide?
The InChIKey is NIGUICNBLHJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O2/c1-15(19-13-27-22-7-6-17(31-2)12-18(19)22)16-8-10-29(11-9-16)14-23(30)28-24-20(25)4-3-5-21(24)26/h3-7,12-13,15-16,27H,8-11,14H2,1-2H3,(H,28,30).
What are the key properties of N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide?
N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide has a molecular weight of 460.41 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[4-[1-(5-methoxy-1H-indol-3-yl)ethyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 54112811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).