(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C22H25N3O — CID 50979872

IUPAC(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCC(Cc3cccnc3)C2)[nH]c2ccccc12
InChIInChI=1S/C22H25N3O/c1-2-18-19-9-3-4-10-20(19)24-21(18)22(26)25-12-6-8-17(15-25)13-16-7-5-11-23-14-16/h3-5,7,9-11,14,17,24H,2,6,8,12-13,15H2,1H3
InChIKeyBDAGVGAPZGXXIV-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.22
Rot. Bonds4

About (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 50979872) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID50979872
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESCCc1c(C(=O)N2CCCC(Cc3cccnc3)C2)[nH]c2ccccc12
InChIInChI=1S/C22H25N3O/c1-2-18-19-9-3-4-10-20(19)24-21(18)22(26)25-12-6-8-17(15-25)13-16-7-5-11-23-14-16/h3-5,7,9-11,14,17,24H,2,6,8,12-13,15H2,1H3
InChIKeyBDAGVGAPZGXXIV-UHFFFAOYSA-N
XLogP4.22
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
5,6-dimethyl-3-[(3S)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124960914
(5-propyl-1,2-oxazol-3-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124986927
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124950556
(3-ethyl-1H-indol-2-yl)-[(2R)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124749836
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 50979872) is (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is CCc1c(C(=O)N2CCCC(Cc3cccnc3)C2)[nH]c2ccccc12.
What is the InChIKey of (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is BDAGVGAPZGXXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-2-18-19-9-3-4-10-20(19)24-21(18)22(26)25-12-6-8-17(15-25)13-16-7-5-11-23-14-16/h3-5,7,9-11,14,17,24H,2,6,8,12-13,15H2,1H3.
What are the key properties of (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1H-indol-2-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 50979872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).