3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone

C17H24N2O2 — CID 103495465

IUPAC3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CNc3ccccc3O2)CC1
InChIInChI=1S/C17H24N2O2/c1-12(2)13-7-9-19(10-8-13)17(20)16-11-18-14-5-3-4-6-15(14)21-16/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyUACOTYWPWYCNTF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.75
Rot. Bonds2

About 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone

3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone (PubChem CID 103495465) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone
PubChem CID103495465
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)C2CNc3ccccc3O2)CC1
InChIInChI=1S/C17H24N2O2/c1-12(2)13-7-9-19(10-8-13)17(20)16-11-18-14-5-3-4-6-15(14)21-16/h3-6,12-13,16,18H,7-11H2,1-2H3
InChIKeyUACOTYWPWYCNTF-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4,4-dimethylpiperidin-1-yl)methanone
CID 62930918
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79181648
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220579
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63633700
3,4-dihydro-2H-1,4-benzoxazin-2-yl(1,4-oxazepan-4-yl)methanone
CID 62973281
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958563
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(2-methylmorpholin-4-yl)methanone
CID 24696205
1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61159517
1-(3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl)pyrrolidine-2-carboxamide
CID 43212175
3,4-dihydro-2H-1,4-benzoxazin-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217725
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392499
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone (CID 103495465) is 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone is CC(C)C1CCN(C(=O)C2CNc3ccccc3O2)CC1.
What is the InChIKey of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
The InChIKey is UACOTYWPWYCNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12(2)13-7-9-19(10-8-13)17(20)16-11-18-14-5-3-4-6-15(14)21-16/h3-6,12-13,16,18H,7-11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone?
3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-benzoxazin-2-yl-(4-propan-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 103495465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).