N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide

C23H36N4O — CID 16674168

IUPACN-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCCc1cccc2c(CC(=O)N(CCN(C)C)C3CCN(C)CC3)c(C)[nH]c12
InChIInChI=1S/C23H36N4O/c1-6-18-8-7-9-20-21(17(2)24-23(18)20)16-22(28)27(15-14-25(3)4)19-10-12-26(5)13-11-19/h7-9,19,24H,6,10-16H2,1-5H3
InChIKeyCHWBAGGWLVTPFC-UHFFFAOYSA-N
MW384.57 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide

N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 16674168) has the molecular formula C23H36N4O and a molecular weight of 384.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID16674168
Molecular FormulaC23H36N4O
Molecular Weight384.57 g/mol
Exact Mass384.29
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide
SMILESCCc1cccc2c(CC(=O)N(CCN(C)C)C3CCN(C)CC3)c(C)[nH]c12
InChIInChI=1S/C23H36N4O/c1-6-18-8-7-9-20-21(17(2)24-23(18)20)16-22(28)27(15-14-25(3)4)19-10-12-26(5)13-11-19/h7-9,19,24H,6,10-16H2,1-5H3
InChIKeyCHWBAGGWLVTPFC-UHFFFAOYSA-N
XLogP3.07
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[2-(dimethylamino)ethyl]-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 51504628
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
CID 54873923
3-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoic acid
CID 62232103
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-methyl-1H-indol-3-yl)acetamide
CID 110702454
N-[3-(7-ethyl-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98784588
N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671635
N-[2-(dimethylamino)ethyl]-2-[2-(3-methylanilino)-1,3-thiazol-4-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 16674175
2-[(7-ethyl-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-one
CID 84635790
N-[2-(dimethylamino)ethyl]-4-hydroxy-N-(1-methylpiperidin-4-yl)butanamide
CID 79203320
5-[2-(dimethylamino)ethyl-(1-methylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60950165
N-[2-(dimethylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)-2-(2,4,6-trimethyl-1H-indol-3-yl)acetamide
CID 46966356
3-ethyl-2-methyl-1H-indol-7-ol
CID 130049392

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide (CID 16674168) is N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide is CCc1cccc2c(CC(=O)N(CCN(C)C)C3CCN(C)CC3)c(C)[nH]c12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is CHWBAGGWLVTPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O/c1-6-18-8-7-9-20-21(17(2)24-23(18)20)16-22(28)27(15-14-25(3)4)19-10-12-26(5)13-11-19/h7-9,19,24H,6,10-16H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide?
N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 384.57 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 16674168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).