azocan-1-yl(piperazin-2-yl)methanone

C12H23N3O — CID 63104167

IUPACazocan-1-yl(piperazin-2-yl)methanone
SMILESO=C(C1CNCCN1)N1CCCCCCC1
InChIInChI=1S/C12H23N3O/c16-12(11-10-13-6-7-14-11)15-8-4-2-1-3-5-9-15/h11,13-14H,1-10H2
InChIKeyKBIITQQYYSISNE-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.34
Rot. Bonds1

About azocan-1-yl(piperazin-2-yl)methanone

azocan-1-yl(piperazin-2-yl)methanone (PubChem CID 63104167) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is azocan-1-yl(piperazin-2-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl(piperazin-2-yl)methanone
PubChem CID63104167
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Nameazocan-1-yl(piperazin-2-yl)methanone
SMILESO=C(C1CNCCN1)N1CCCCCCC1
InChIInChI=1S/C12H23N3O/c16-12(11-10-13-6-7-14-11)15-8-4-2-1-3-5-9-15/h11,13-14H,1-10H2
InChIKeyKBIITQQYYSISNE-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-piperazin-2-ylmethanone
CID 63102910
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(3-hydroxypyrrolidin-1-yl)-piperazin-2-ylmethanone;hydrochloride
CID 170899766
2-[1-(piperazine-2-carbonyl)piperidin-4-yl]acetamide
CID 55176681
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
(3-ethyl-4-methylpiperazin-1-yl)-piperazin-2-ylmethanone
CID 63621732
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl(piperazin-2-yl)methanone?
The IUPAC name of azocan-1-yl(piperazin-2-yl)methanone (CID 63104167) is azocan-1-yl(piperazin-2-yl)methanone.
What is the SMILES notation for azocan-1-yl(piperazin-2-yl)methanone?
The canonical SMILES for azocan-1-yl(piperazin-2-yl)methanone is O=C(C1CNCCN1)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl(piperazin-2-yl)methanone?
The InChIKey is KBIITQQYYSISNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c16-12(11-10-13-6-7-14-11)15-8-4-2-1-3-5-9-15/h11,13-14H,1-10H2.
What are the key properties of azocan-1-yl(piperazin-2-yl)methanone?
azocan-1-yl(piperazin-2-yl)methanone has a molecular weight of 225.34 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl(piperazin-2-yl)methanone is sourced from PubChem (CID 63104167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).