2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C22H25N3O2S — CID 49089233

IUPAC2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H25N3O2S/c1-15-20(18-6-2-3-7-19(18)24-15)21(26)22(27)23-13-16-8-10-25(11-9-16)14-17-5-4-12-28-17/h2-7,12,16,24H,8-11,13-14H2,1H3,(H,23,27)
InChIKeyKQNWWJLJPVZUDY-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.75
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 49089233) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID49089233
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H25N3O2S/c1-15-20(18-6-2-3-7-19(18)24-15)21(26)22(27)23-13-16-8-10-25(11-9-16)14-17-5-4-12-28-17/h2-7,12,16,24H,8-11,13-14H2,1H3,(H,23,27)
InChIKeyKQNWWJLJPVZUDY-UHFFFAOYSA-N
XLogP3.75
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
(1S)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 94819295
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 49056636
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865422
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 110995684

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 49089233) is 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is KQNWWJLJPVZUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-20(18-6-2-3-7-19(18)24-15)21(26)22(27)23-13-16-8-10-25(11-9-16)14-17-5-4-12-28-17/h2-7,12,16,24H,8-11,13-14H2,1H3,(H,23,27).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 49089233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).