azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone

C14H26N4O — CID 79152124

IUPACazepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCCCCC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H26N4O/c19-14(17-5-3-1-2-4-6-17)18-9-7-16(8-10-18)13-11-15-12-13/h13,15H,1-12H2
InChIKeyLSUOMMXGJGFLOV-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.57
Rot. Bonds1

About azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone

azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone (PubChem CID 79152124) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone
PubChem CID79152124
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Nameazepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone
SMILESO=C(N1CCCCCC1)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H26N4O/c19-14(17-5-3-1-2-4-6-17)18-9-7-16(8-10-18)13-11-15-12-13/h13,15H,1-12H2
InChIKeyLSUOMMXGJGFLOV-UHFFFAOYSA-N
XLogP0.57
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone (CID 79152124) is azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone is O=C(N1CCCCCC1)N1CCN(C2CNC2)CC1.
What is the InChIKey of azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone?
The InChIKey is LSUOMMXGJGFLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c19-14(17-5-3-1-2-4-6-17)18-9-7-16(8-10-18)13-11-15-12-13/h13,15H,1-12H2.
What are the key properties of azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone?
azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone has a molecular weight of 266.39 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-(azetidin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 79152124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).