1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone

C15H28N2O — CID 112701871

IUPAC1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
SMILESCCC1CCCCCN1C(=O)CC1CCNCC1
InChIInChI=1S/C15H28N2O/c1-2-14-6-4-3-5-11-17(14)15(18)12-13-7-9-16-10-8-13/h13-14,16H,2-12H2,1H3
InChIKeyDHBIWXKTEATPRS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone

1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone (PubChem CID 112701871) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
PubChem CID112701871
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone
SMILESCCC1CCCCCN1C(=O)CC1CCNCC1
InChIInChI=1S/C15H28N2O/c1-2-14-6-4-3-5-11-17(14)15(18)12-13-7-9-16-10-8-13/h13-14,16H,2-12H2,1H3
InChIKeyDHBIWXKTEATPRS-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-2-piperidin-4-ylethanone
CID 60974700
1-(2-ethylpyrrolidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 62210226
2-(azetidin-3-yl)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634525
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
1-(2-ethylpiperidin-1-yl)-2-(oxan-3-yl)ethanone
CID 110855934
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
2-(2-aminocyclohexyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 55116461
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylazepan-1-yl)ethanone
CID 115642380

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone (CID 112701871) is 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone is CCC1CCCCCN1C(=O)CC1CCNCC1.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone?
The InChIKey is DHBIWXKTEATPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-14-6-4-3-5-11-17(14)15(18)12-13-7-9-16-10-8-13/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone?
1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone has a molecular weight of 252.40 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 112701871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).