2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C22H27N3OS — CID 49056672

IUPAC2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H27N3OS/c1-17-13-19-5-2-3-7-21(19)25(17)16-22(26)23-14-18-8-10-24(11-9-18)15-20-6-4-12-27-20/h2-7,12-13,18H,8-11,14-16H2,1H3,(H,23,26)
InChIKeyLICFWYOMVQNAPV-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.04
Rot. Bonds6

About 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 49056672) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID49056672
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESCc1cc2ccccc2n1CC(=O)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H27N3OS/c1-17-13-19-5-2-3-7-21(19)25(17)16-22(26)23-14-18-8-10-24(11-9-18)15-20-6-4-12-27-20/h2-7,12-13,18H,8-11,14-16H2,1H3,(H,23,26)
InChIKeyLICFWYOMVQNAPV-UHFFFAOYSA-N
XLogP4.04
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 49056672) is 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is Cc1cc2ccccc2n1CC(=O)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is LICFWYOMVQNAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-17-13-19-5-2-3-7-21(19)25(17)16-22(26)23-14-18-8-10-24(11-9-18)15-20-6-4-12-27-20/h2-7,12-13,18H,8-11,14-16H2,1H3,(H,23,26).
What are the key properties of 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 381.55 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 49056672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).