2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone

C19H28N2O3 — CID 134800134

IUPAC2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone
SMILESCCCN1CCC2(CCN(C(=O)COC)CC2)Oc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-3-11-20-12-8-19(24-17-7-5-4-6-16(17)20)9-13-21(14-10-19)18(22)15-23-2/h4-7H,3,8-15H2,1-2H3
InChIKeyWCYSZYHHWGSFRB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.69
Rot. Bonds4

About 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone

2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone (PubChem CID 134800134) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone
PubChem CID134800134
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone
SMILESCCCN1CCC2(CCN(C(=O)COC)CC2)Oc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-3-11-20-12-8-19(24-17-7-5-4-6-16(17)20)9-13-21(14-10-19)18(22)15-23-2/h4-7H,3,8-15H2,1-2H3
InChIKeyWCYSZYHHWGSFRB-UHFFFAOYSA-N
XLogP2.69
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone (CID 134800134) is 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone is CCCN1CCC2(CCN(C(=O)COC)CC2)Oc2ccccc21.
What is the InChIKey of 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone?
The InChIKey is WCYSZYHHWGSFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-11-20-12-8-19(24-17-7-5-4-6-16(17)20)9-13-21(14-10-19)18(22)15-23-2/h4-7H,3,8-15H2,1-2H3.
What are the key properties of 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone?
2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone has a molecular weight of 332.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-propylspiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 134800134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).