azepan-1-yl(piperidin-4-yl)methanone

C12H22N2O — CID 2794691

IUPACazepan-1-yl(piperidin-4-yl)methanone
SMILESO=C(C1CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14/h11,13H,1-10H2
InChIKeyBWKOHTHENZSVRL-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

About azepan-1-yl(piperidin-4-yl)methanone

azepan-1-yl(piperidin-4-yl)methanone (PubChem CID 2794691) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is azepan-1-yl(piperidin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(piperidin-4-yl)methanone
PubChem CID2794691
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Nameazepan-1-yl(piperidin-4-yl)methanone
SMILESO=C(C1CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H22N2O/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14/h11,13H,1-10H2
InChIKeyBWKOHTHENZSVRL-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(piperidin-4-yl)methanone?
The IUPAC name of azepan-1-yl(piperidin-4-yl)methanone (CID 2794691) is azepan-1-yl(piperidin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl(piperidin-4-yl)methanone?
The canonical SMILES for azepan-1-yl(piperidin-4-yl)methanone is O=C(C1CCNCC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(piperidin-4-yl)methanone?
The InChIKey is BWKOHTHENZSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14/h11,13H,1-10H2.
What are the key properties of azepan-1-yl(piperidin-4-yl)methanone?
azepan-1-yl(piperidin-4-yl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(piperidin-4-yl)methanone is sourced from PubChem (CID 2794691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).