1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone

C15H23N3O — CID 43396870

IUPAC1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone
SMILESCC(NCC(=O)N1CCCCCC1)c1ccccn1
InChIInChI=1S/C15H23N3O/c1-13(14-8-4-5-9-16-14)17-12-15(19)18-10-6-2-3-7-11-18/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3
InChIKeyAAVXOUTWQVIKQE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.13
Rot. Bonds4

About 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone

1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone (PubChem CID 43396870) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone
PubChem CID43396870
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone
SMILESCC(NCC(=O)N1CCCCCC1)c1ccccn1
InChIInChI=1S/C15H23N3O/c1-13(14-8-4-5-9-16-14)17-12-15(19)18-10-6-2-3-7-11-18/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3
InChIKeyAAVXOUTWQVIKQE-UHFFFAOYSA-N
XLogP2.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396900
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801242
N-(2-ethylphenyl)-2-[4-[2-(1-pyridin-2-ylethylamino)acetyl]piperazin-1-yl]acetamide
CID 112801160
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801113
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone (CID 43396870) is 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone is CC(NCC(=O)N1CCCCCC1)c1ccccn1.
What is the InChIKey of 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone?
The InChIKey is AAVXOUTWQVIKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-13(14-8-4-5-9-16-14)17-12-15(19)18-10-6-2-3-7-11-18/h4-5,8-9,13,17H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone?
1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone has a molecular weight of 261.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone is sourced from PubChem (CID 43396870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).