1-(azepan-1-yl)-2-piperazin-1-ylethanone

C12H23N3O — CID 7131459

IUPAC1-(azepan-1-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H23N3O/c16-12(11-14-9-5-13-6-10-14)15-7-3-1-2-4-8-15/h13H,1-11H2
InChIKeyRGAKLRHYGVJQAA-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.29
Rot. Bonds2

About 1-(azepan-1-yl)-2-piperazin-1-ylethanone

1-(azepan-1-yl)-2-piperazin-1-ylethanone (PubChem CID 7131459) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-piperazin-1-ylethanone
PubChem CID7131459
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(azepan-1-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H23N3O/c16-12(11-14-9-5-13-6-10-14)15-7-3-1-2-4-8-15/h13H,1-11H2
InChIKeyRGAKLRHYGVJQAA-UHFFFAOYSA-N
XLogP0.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-Oxo-2-piperidin-1-ylethyl)piperazine
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N-cyclohexyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
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2,3-Piperazinedione, 1-octyl-
CID 3042435
1-Piperidineacetamide, N-octyl-
CID 3063688
1-Piperidineacetamide, N-dodecyl-
CID 3064220
Esaprazole hydrochloride
CID 6917681
1-Cyclohexylpiperazin-2-one
CID 3157471
Azepanecarboxyamide
CID 22198096
2-(1,4-diazepan-1-yl)-N-methyl-N-pentylacetamide
CID 49853583
N-butyl-2-piperazin-1-yl-N-propylacetamide
CID 49853676

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(azepan-1-yl)-2-piperazin-1-ylethanone (CID 7131459) is 1-(azepan-1-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-piperazin-1-ylethanone?
The InChIKey is RGAKLRHYGVJQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(11-14-9-5-13-6-10-14)15-7-3-1-2-4-8-15/h13H,1-11H2.
What are the key properties of 1-(azepan-1-yl)-2-piperazin-1-ylethanone?
1-(azepan-1-yl)-2-piperazin-1-ylethanone has a molecular weight of 225.34 g/mol, XLogP of 0.29, 2 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-piperazin-1-ylethanone is sourced from PubChem (CID 7131459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).