N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide

C25H31N3O2 — CID 8558536

IUPACN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN2CCC(C)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H31N3O2/c1-18-11-13-28(14-12-18)17-25(29)27-15-22(19-7-9-20(30-2)10-8-19)23-16-26-24-6-4-3-5-21(23)24/h3-10,16,18,22,26H,11-15,17H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKeyFNLXWJWPXPHVSR-QFIPXVFZSA-N
MW405.54 g/mol
LogP4.16
Rot. Bonds7

About N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8558536) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8558536
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCOc1ccc([C@H](CNC(=O)CN2CCC(C)CC2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H31N3O2/c1-18-11-13-28(14-12-18)17-25(29)27-15-22(19-7-9-20(30-2)10-8-19)23-16-26-24-6-4-3-5-21(23)24/h3-10,16,18,22,26H,11-15,17H2,1-2H3,(H,27,29)/t22-/m0/s1
InChIKeyFNLXWJWPXPHVSR-QFIPXVFZSA-N
XLogP4.16
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56542544
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-morpholin-4-ylacetamide
CID 9450428
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)acetamide
CID 154851146
2-[cycloheptyl(methyl)amino]-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 16577880
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 17014566
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112834288
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 41242831
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 55343696

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 8558536) is N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide is COc1ccc([C@H](CNC(=O)CN2CCC(C)CC2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is FNLXWJWPXPHVSR-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-18-11-13-28(14-12-18)17-25(29)27-15-22(19-7-9-20(30-2)10-8-19)23-16-26-24-6-4-3-5-21(23)24/h3-10,16,18,22,26H,11-15,17H2,1-2H3,(H,27,29)/t22-/m0/s1.
What are the key properties of N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 405.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8558536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).