2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide

C21H31N3O — CID 92586025

IUPAC2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C21H31N3O/c1-4-17(14-24-11-6-5-7-12-24)23-20(25)13-19-16(3)22-21-15(2)9-8-10-18(19)21/h8-10,17,22H,4-7,11-14H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyXILNLXDRTFITQY-QGZVFWFLSA-N
MW341.50 g/mol
LogP3.71
Rot. Bonds6

About 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide

2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide (PubChem CID 92586025) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide
PubChem CID92586025
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide
SMILESCC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2c(C)cccc12
InChIInChI=1S/C21H31N3O/c1-4-17(14-24-11-6-5-7-12-24)23-20(25)13-19-16(3)22-21-15(2)9-8-10-18(19)21/h8-10,17,22H,4-7,11-14H2,1-3H3,(H,23,25)/t17-/m1/s1
InChIKeyXILNLXDRTFITQY-QGZVFWFLSA-N
XLogP3.71
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505044
2-(5-chloro-2-methyl-1H-indol-3-yl)-N-[(2R)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505165
2-hydroxypropane-1,2,3-tricarboxylic acid;N-(1-pyrrolidin-1-ylbutan-2-yl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 118747336
2-(4-oxo-3H-phthalazin-1-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 46966888
2-(2,5-dimethyl-1H-indol-3-yl)-N-(1-morpholin-4-ylbutan-2-yl)acetamide
CID 16673953
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[(2S)-1-morpholin-4-ylbutan-2-yl]acetamide
CID 51593800
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ylbutan-2-yl)acetamide
CID 16674004
2-(6-methyl-1-benzofuran-3-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505096
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505108
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51499890
2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-pyrrolidin-1-ylbutan-2-yl)acetamide
CID 16673772
2-(2,4-dimethoxy-6-methylpyrimidin-5-yl)-N-[(2S)-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 51505046

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide?
The IUPAC name of 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide (CID 92586025) is 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide is CC[C@H](CN1CCCCC1)NC(=O)Cc1c(C)[nH]c2c(C)cccc12.
What is the InChIKey of 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide?
The InChIKey is XILNLXDRTFITQY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N3O/c1-4-17(14-24-11-6-5-7-12-24)23-20(25)13-19-16(3)22-21-15(2)9-8-10-18(19)21/h8-10,17,22H,4-7,11-14H2,1-3H3,(H,23,25)/t17-/m1/s1.
What are the key properties of 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide?
2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide has a molecular weight of 341.50 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-dimethyl-1H-indol-3-yl)-N-[(2R)-1-piperidin-1-ylbutan-2-yl]acetamide is sourced from PubChem (CID 92586025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).