piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone

C17H24N2O2 — CID 82340061

IUPACpiperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone
SMILESCCCN1CCOc2ccc(C(=O)C3CCCCN3)cc21
InChIInChI=1S/C17H24N2O2/c1-2-9-19-10-11-21-16-7-6-13(12-15(16)19)17(20)14-5-3-4-8-18-14/h6-7,12,14,18H,2-5,8-11H2,1H3
InChIKeyKVFHHROAOBEJGT-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.62
Rot. Bonds4

About piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone

piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone (PubChem CID 82340061) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone
PubChem CID82340061
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namepiperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone
SMILESCCCN1CCOc2ccc(C(=O)C3CCCCN3)cc21
InChIInChI=1S/C17H24N2O2/c1-2-9-19-10-11-21-16-7-6-13(12-15(16)19)17(20)14-5-3-4-8-18-14/h6-7,12,14,18H,2-5,8-11H2,1H3
InChIKeyKVFHHROAOBEJGT-UHFFFAOYSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone?
The IUPAC name of piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone (CID 82340061) is piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone.
What is the SMILES notation for piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone?
The canonical SMILES for piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone is CCCN1CCOc2ccc(C(=O)C3CCCCN3)cc21.
What is the InChIKey of piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone?
The InChIKey is KVFHHROAOBEJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-9-19-10-11-21-16-7-6-13(12-15(16)19)17(20)14-5-3-4-8-18-14/h6-7,12,14,18H,2-5,8-11H2,1H3.
What are the key properties of piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone?
piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-yl-(4-propyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanone is sourced from PubChem (CID 82340061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).