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

C23H27N3O2 — CID 90680601

IUPACN-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-17-16-19-4-2-3-5-22(19)26(17)15-14-25-23(27)18-6-8-20(9-7-18)28-21-10-12-24-13-11-21/h2-9,16,21,24H,10-15H2,1H3,(H,25,27)
InChIKeyLPNCXNOUMIUGPA-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.51
Rot. Bonds6

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

N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide (PubChem CID 90680601) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
PubChem CID90680601
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide
SMILESCc1cc2ccccc2n1CCNC(=O)c1ccc(OC2CCNCC2)cc1
InChIInChI=1S/C23H27N3O2/c1-17-16-19-4-2-3-5-22(19)26(17)15-14-25-23(27)18-6-8-20(9-7-18)28-21-10-12-24-13-11-21/h2-9,16,21,24H,10-15H2,1H3,(H,25,27)
InChIKeyLPNCXNOUMIUGPA-UHFFFAOYSA-N
XLogP3.51
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3314807
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3311967
4-bromo-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 4144460
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
4-(2-aminoethyl)-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 90680568
3,4,5-triethoxy-N-[2-(2-methylindol-1-yl)ethyl]benzamide
CID 3288194
N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815307
N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4287474
4-chloro-N-[2-(2-methylindol-1-yl)ethyl]-3-nitrobenzamide
CID 4080837
N-[2-(2-methylindol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 45172641
N-[2-(2-methylindol-1-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911026
N-[2-(2-methylindol-1-yl)ethyl]-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-3-carboxamide
CID 91625403

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide?
The IUPAC name of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide (CID 90680601) is N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide.
What is the SMILES notation for N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide?
The canonical SMILES for N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide is Cc1cc2ccccc2n1CCNC(=O)c1ccc(OC2CCNCC2)cc1.
What is the InChIKey of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide?
The InChIKey is LPNCXNOUMIUGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-16-19-4-2-3-5-22(19)26(17)15-14-25-23(27)18-6-8-20(9-7-18)28-21-10-12-24-13-11-21/h2-9,16,21,24H,10-15H2,1H3,(H,25,27).
What are the key properties of N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide?
N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide has a molecular weight of 377.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylindol-1-yl)ethyl]-4-piperidin-4-yloxybenzamide is sourced from PubChem (CID 90680601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).