3-piperazin-1-ylazepan-2-one

C10H19N3O — CID 43185759

IUPAC3-piperazin-1-ylazepan-2-one
SMILESO=C1NCCCCC1N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13/h9,11H,1-8H2,(H,12,14)
InChIKeyWZIITQROMQTOAB-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.44
Rot. Bonds1

About 3-piperazin-1-ylazepan-2-one

3-piperazin-1-ylazepan-2-one (PubChem CID 43185759) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-piperazin-1-ylazepan-2-one.

Molecular Properties

Compound Name3-piperazin-1-ylazepan-2-one
PubChem CID43185759
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-piperazin-1-ylazepan-2-one
SMILESO=C1NCCCCC1N1CCNCC1
InChIInChI=1S/C10H19N3O/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13/h9,11H,1-8H2,(H,12,14)
InChIKeyWZIITQROMQTOAB-UHFFFAOYSA-N
XLogP-0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

D-2-Aminohexano-6-lactam
CID 439823
L-2-aminohexano-6-lactam
CID 440599
2H-Azepin-2-one, 3-aminohexahydro-
CID 102463
Piperidine-2-carboxamide
CID 140623
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]propanamide
CID 11735999
2,5-Diamino-1-piperidin-1-yl-pentan-1-one
CID 10081481
Piperidine-2-carboxylic acid tert-butylamide
CID 5289197
(R)-4-((S)-3-amino-4-(2-oxopiperidin-1-yl)butanoyl)-3-methyl-1,4-diazepan-2-one
CID 44561191
(S)-2,6-diamino-1-(piperidin-1-yl)hexan-1-one
CID 10443207
2,6-Diamino-1-piperidin-1-yl-hexan-1-one
CID 18398588
N-tert-butylpiperidine-2-carboxamide
CID 3318550
N-(2-oxoazepan-3-yl)acetamide
CID 14289832

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylazepan-2-one?
The IUPAC name of 3-piperazin-1-ylazepan-2-one (CID 43185759) is 3-piperazin-1-ylazepan-2-one.
What is the SMILES notation for 3-piperazin-1-ylazepan-2-one?
The canonical SMILES for 3-piperazin-1-ylazepan-2-one is O=C1NCCCCC1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylazepan-2-one?
The InChIKey is WZIITQROMQTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13/h9,11H,1-8H2,(H,12,14).
What are the key properties of 3-piperazin-1-ylazepan-2-one?
3-piperazin-1-ylazepan-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylazepan-2-one is sourced from PubChem (CID 43185759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).