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

C13H24N2O — CID 115007035

IUPAC1-(azepan-4-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)C1CCCNCC1
InChIInChI=1S/C13H24N2O/c16-13(11-15-9-2-1-3-10-15)12-5-4-7-14-8-6-12/h12,14H,1-11H2
InChIKeyCWPCMQCUDVMYIK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.43
Rot. Bonds3

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

1-(azepan-4-yl)-2-piperidin-1-ylethanone (PubChem CID 115007035) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(azepan-4-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(azepan-4-yl)-2-piperidin-1-ylethanone
PubChem CID115007035
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(azepan-4-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)C1CCCNCC1
InChIInChI=1S/C13H24N2O/c16-13(11-15-9-2-1-3-10-15)12-5-4-7-14-8-6-12/h12,14H,1-11H2
InChIKeyCWPCMQCUDVMYIK-UHFFFAOYSA-N
XLogP1.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)-2-piperidin-1-ylethanone
CID 115007089
1-(azepan-4-yl)-2-methylsulfanylethanone
CID 115017399
1-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 104749970
4-(2-cyclopentyl-2-oxoethyl)-1,4-diazepan-2-one
CID 104750873
1-(azepan-3-yl)-2-morpholin-4-ylethanone
CID 115007024
N-(2-methyl-1-piperidin-1-ylpropan-2-yl)azepane-4-carboxamide;dihydrochloride
CID 154911287
(4S)-azepane-4-carboxylic acid
CID 59261053
1-cyclohexyl-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405281
1-(azepan-4-yl)-2-(diethylamino)ethanone
CID 115007037
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
1-(oxolan-3-yl)-2-piperazin-1-ylethanone
CID 104750458
1-cyclopentyl-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103498957

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-4-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(azepan-4-yl)-2-piperidin-1-ylethanone (CID 115007035) is 1-(azepan-4-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(azepan-4-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(azepan-4-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)C1CCCNCC1.
What is the InChIKey of 1-(azepan-4-yl)-2-piperidin-1-ylethanone?
The InChIKey is CWPCMQCUDVMYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(11-15-9-2-1-3-10-15)12-5-4-7-14-8-6-12/h12,14H,1-11H2.
What are the key properties of 1-(azepan-4-yl)-2-piperidin-1-ylethanone?
1-(azepan-4-yl)-2-piperidin-1-ylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-4-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 115007035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).