2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone

C17H24N2O2 — CID 63128645

IUPAC2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCOc3ccccc32)CCNCC1
InChIInChI=1S/C17H24N2O2/c1-2-7-17(8-10-18-11-9-17)16(20)19-12-13-21-15-6-4-3-5-14(15)19/h3-6,18H,2,7-13H2,1H3
InChIKeyFTLUSUJWOAJXAJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.58
Rot. Bonds3

About 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone

2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone (PubChem CID 63128645) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone
PubChem CID63128645
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)N2CCOc3ccccc32)CCNCC1
InChIInChI=1S/C17H24N2O2/c1-2-7-17(8-10-18-11-9-17)16(20)19-12-13-21-15-6-4-3-5-14(15)19/h3-6,18H,2,7-13H2,1H3
InChIKeyFTLUSUJWOAJXAJ-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzoxazin-4-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980396
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63141740
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-piperidin-4-ylethanone
CID 61260164
3-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70738140
2,3-dihydro-1,4-benzoxazin-4-yl(piperidin-4-yl)methanone;hydrochloride
CID 119293291
2,3-dihydro-1,4-benzoxazin-4-yl(pyrrolidin-3-yl)methanone
CID 63005604
2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 62838358
(4-amino-5-ethyl-1H-pyrazol-3-yl)-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 62082873
(2S)-2-amino-1-(2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one;hydrochloride
CID 119293296
(4-benzylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 113231360
4-[(4-propylpiperidin-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 63193214
1-(2,3-dihydro-1,4-benzoxazin-4-yl)but-2-en-1-one
CID 112727331

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone (CID 63128645) is 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)N2CCOc3ccccc32)CCNCC1.
What is the InChIKey of 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone?
The InChIKey is FTLUSUJWOAJXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-7-17(8-10-18-11-9-17)16(20)19-12-13-21-15-6-4-3-5-14(15)19/h3-6,18H,2,7-13H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone?
2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzoxazin-4-yl-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 63128645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).