1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone

C18H27N3O2 — CID 126468362

IUPAC1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)(c2cccnc2)CC1)N1CCCCCC1
InChIInChI=1S/C18H27N3O2/c22-17(21-10-3-1-2-4-11-21)15-20-12-7-18(23,8-13-20)16-6-5-9-19-14-16/h5-6,9,14,23H,1-4,7-8,10-13,15H2
InChIKeyJDQHQMBBAXATQS-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.77
Rot. Bonds3

About 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone

1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone (PubChem CID 126468362) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
PubChem CID126468362
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESO=C(CN1CCC(O)(c2cccnc2)CC1)N1CCCCCC1
InChIInChI=1S/C18H27N3O2/c22-17(21-10-3-1-2-4-11-21)15-20-12-7-18(23,8-13-20)16-6-5-9-19-14-16/h5-6,9,14,23H,1-4,7-8,10-13,15H2
InChIKeyJDQHQMBBAXATQS-UHFFFAOYSA-N
XLogP1.77
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 97197401
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
CID 126432712
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 91761622
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-pyridin-3-ylpiperidin-4-ol
CID 651160
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone (CID 126468362) is 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone is O=C(CN1CCC(O)(c2cccnc2)CC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is JDQHQMBBAXATQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c22-17(21-10-3-1-2-4-11-21)15-20-12-7-18(23,8-13-20)16-6-5-9-19-14-16/h5-6,9,14,23H,1-4,7-8,10-13,15H2.
What are the key properties of 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone?
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 126468362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).