1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone

C15H22N2O — CID 114055606

IUPAC1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
SMILESCCC1CCCCCN1c1ncccc1C(C)=O
InChIInChI=1S/C15H22N2O/c1-3-13-8-5-4-6-11-17(13)15-14(12(2)18)9-7-10-16-15/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyDHKKRTPWWLBGJP-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.44
Rot. Bonds3

About 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone

1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone (PubChem CID 114055606) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
PubChem CID114055606
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
SMILESCCC1CCCCCN1c1ncccc1C(C)=O
InChIInChI=1S/C15H22N2O/c1-3-13-8-5-4-6-11-17(13)15-14(12(2)18)9-7-10-16-15/h7,9-10,13H,3-6,8,11H2,1-2H3
InChIKeyDHKKRTPWWLBGJP-UHFFFAOYSA-N
XLogP3.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-ethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 61254159
N-[[2-(2-ethylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 104692153
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 63855115
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
[2-(2-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 3192324
1-[2-(2-ethylpiperidin-1-yl)-3-pyridinyl]-N-methylethanamine
CID 114055804
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
2-[(2S)-2-(hydroxymethyl)piperidin-1-yl]pyridin-3-ol
CID 97169524
2-(2-ethylazepan-1-yl)-3-fluorobenzoic acid
CID 104690126
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 103721831
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
[1-(3-amino-2-pyridinyl)piperidin-2-yl]methanol
CID 61406906

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone (CID 114055606) is 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone is CCC1CCCCCN1c1ncccc1C(C)=O.
What is the InChIKey of 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone?
The InChIKey is DHKKRTPWWLBGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-13-8-5-4-6-11-17(13)15-14(12(2)18)9-7-10-16-15/h7,9-10,13H,3-6,8,11H2,1-2H3.
What are the key properties of 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone?
1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 114055606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).