1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone

C21H23N3O2 — CID 124758560

IUPAC1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC([C@H](O)c2ccccn2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(15-24-14-8-16-5-1-2-7-19(16)24)23-12-9-17(10-13-23)21(26)18-6-3-4-11-22-18/h1-8,11,14,17,21,26H,9-10,12-13,15H2/t21-/m0/s1
InChIKeyZDTJLXZUJBXHQF-NRFANRHFSA-N
MW349.43 g/mol
LogP3.01
Rot. Bonds4

About 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone

1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone (PubChem CID 124758560) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone.

Molecular Properties

Compound Name1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
PubChem CID124758560
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
SMILESO=C(Cn1ccc2ccccc21)N1CCC([C@H](O)c2ccccn2)CC1
InChIInChI=1S/C21H23N3O2/c25-20(15-24-14-8-16-5-1-2-7-19(16)24)23-12-9-17(10-13-23)21(26)18-6-3-4-11-22-18/h1-8,11,14,17,21,26H,9-10,12-13,15H2/t21-/m0/s1
InChIKeyZDTJLXZUJBXHQF-NRFANRHFSA-N
XLogP3.01
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone
CID 124758561
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 99930209
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
3-(2-ethylimidazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 131933415
3-[2-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 99946774
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 118787314
2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 167906084
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-indol-1-ylacetamide
CID 91766951
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone?
The IUPAC name of 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone (CID 124758560) is 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone.
What is the SMILES notation for 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone?
The canonical SMILES for 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone is O=C(Cn1ccc2ccccc21)N1CCC([C@H](O)c2ccccn2)CC1.
What is the InChIKey of 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone?
The InChIKey is ZDTJLXZUJBXHQF-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20(15-24-14-8-16-5-1-2-7-19(16)24)23-12-9-17(10-13-23)21(26)18-6-3-4-11-22-18/h1-8,11,14,17,21,26H,9-10,12-13,15H2/t21-/m0/s1.
What are the key properties of 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone?
1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone has a molecular weight of 349.43 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-indol-1-ylethanone is sourced from PubChem (CID 124758560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).