N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide

C23H27N3O — CID 90680563

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C23H27N3O/c1-17-15-20-5-2-3-7-22(20)26(17)14-13-25-23(27)19-10-8-18(9-11-19)21-6-4-12-24-16-21/h2-3,5,7-11,15,21,24H,4,6,12-14,16H2,1H3,(H,25,27)
InChIKeyWEKGPFUJTICXLT-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.85
Rot. Bonds5

About N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide

N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide (PubChem CID 90680563) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide
PubChem CID90680563
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(C2CCCNC2)cc1
InChIInChI=1S/C23H27N3O/c1-17-15-20-5-2-3-7-22(20)26(17)14-13-25-23(27)19-10-8-18(9-11-19)21-6-4-12-24-16-21/h2-3,5,7-11,15,21,24H,4,6,12-14,16H2,1H3,(H,25,27)
InChIKeyWEKGPFUJTICXLT-UHFFFAOYSA-N
XLogP3.85
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide (CID 90680563) is N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(C2CCCNC2)cc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide?
The InChIKey is WEKGPFUJTICXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-17-15-20-5-2-3-7-22(20)26(17)14-13-25-23(27)19-10-8-18(9-11-19)21-6-4-12-24-16-21/h2-3,5,7-11,15,21,24H,4,6,12-14,16H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide has a molecular weight of 361.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-3-ylbenzamide is sourced from PubChem (CID 90680563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).