1-((415N)1,4-diazinan-1-yl)propan-2-one

C7H14N2O — CID 58823346

IUPAC1-((415N)1,4-diazinan-1-yl)propan-2-one
SMILESCC(=O)CN1CC[15NH]CC1
InChIInChI=1S/C7H14N2O/c1-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3/i8+1
InChIKeyLWAQMFOMLLTHKZ-VJJZLTLGSA-N
MW143.20 g/mol
LogP-0.52
Rot. Bonds2

About 1-((415N)1,4-diazinan-1-yl)propan-2-one

1-((415N)1,4-diazinan-1-yl)propan-2-one (PubChem CID 58823346) has the molecular formula C7H14N2O and a molecular weight of 143.20 g/mol. Its IUPAC name is 1-((415N)1,4-diazinan-1-yl)propan-2-one.

Molecular Properties

Compound Name1-((415N)1,4-diazinan-1-yl)propan-2-one
PubChem CID58823346
Molecular FormulaC7H14N2O
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name1-((415N)1,4-diazinan-1-yl)propan-2-one
SMILESCC(=O)CN1CC[15NH]CC1
InChIInChI=1S/C7H14N2O/c1-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3/i8+1
InChIKeyLWAQMFOMLLTHKZ-VJJZLTLGSA-N
XLogP-0.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-((415N)1,4-diazinan-1-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423
ethane;2-piperazin-1-ylacetic acid
CID 143723779
N-acetyl-2-piperazin-1-ylacetamide
CID 67050352
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetyl iodide
CID 153235141
CID 140659696
CID 140659696
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
1-piperazin-1-ylbutan-2-one;hydrochloride
CID 69258100
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
cesium 2-piperazin-1-ylacetate
CID 143618324
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868

Frequently Asked Questions

What is the IUPAC name of 1-((415N)1,4-diazinan-1-yl)propan-2-one?
The IUPAC name of 1-((415N)1,4-diazinan-1-yl)propan-2-one (CID 58823346) is 1-((415N)1,4-diazinan-1-yl)propan-2-one.
What is the SMILES notation for 1-((415N)1,4-diazinan-1-yl)propan-2-one?
The canonical SMILES for 1-((415N)1,4-diazinan-1-yl)propan-2-one is CC(=O)CN1CC[15NH]CC1.
What is the InChIKey of 1-((415N)1,4-diazinan-1-yl)propan-2-one?
The InChIKey is LWAQMFOMLLTHKZ-VJJZLTLGSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3/i8+1.
What are the key properties of 1-((415N)1,4-diazinan-1-yl)propan-2-one?
1-((415N)1,4-diazinan-1-yl)propan-2-one has a molecular weight of 143.20 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-((415N)1,4-diazinan-1-yl)propan-2-one is sourced from PubChem (CID 58823346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).