azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone

C12H20N2O — CID 117125964

IUPACazepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone
SMILESO=C(C1=CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H20N2O/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14/h5,13H,1-4,6-10H2
InChIKeyVWBVQJVBSPKKJB-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.31
Rot. Bonds1

About azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone

azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone (PubChem CID 117125964) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone
PubChem CID117125964
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Nameazepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone
SMILESO=C(C1=CCNCC1)N1CCCCCC1
InChIInChI=1S/C12H20N2O/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14/h5,13H,1-4,6-10H2
InChIKeyVWBVQJVBSPKKJB-UHFFFAOYSA-N
XLogP1.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,6-tetrahydropyridine-4-carboxylic acid;hydrobromide
CID 12549674
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azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
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[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-propan-2-yl-4-(pyrrolidine-1-carbonyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53015775
3,4-dihydronaphthalen-2-yl(pyrrolidin-1-yl)methanone
CID 102580684
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
1-(1,2,3,6-tetrahydropyridin-4-ylmethyl)azepane
CID 114694805
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
(4-tert-butylcyclohexa-1,3-dien-1-yl)-pyrrolidin-1-ylmethanone
CID 167073113
1H-inden-2-yl(pyrrolidin-1-yl)methanone
CID 166438542
pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
CID 155915231

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone?
The IUPAC name of azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone (CID 117125964) is azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone.
What is the SMILES notation for azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone?
The canonical SMILES for azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone is O=C(C1=CCNCC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone?
The InChIKey is VWBVQJVBSPKKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12(11-5-7-13-8-6-11)14-9-3-1-2-4-10-14/h5,13H,1-4,6-10H2.
What are the key properties of azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone?
azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl(1,2,3,6-tetrahydropyridin-4-yl)methanone is sourced from PubChem (CID 117125964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).