(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone

C24H28N2O2 — CID 91919622

IUPAC(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)C1(c3ccccc3)CC1)Cc1ccccc1O2
InChIInChI=1S/C24H28N2O2/c1-25-15-13-23(14-16-25)18-26(17-19-7-5-6-10-21(19)28-23)22(27)24(11-12-24)20-8-3-2-4-9-20/h2-10H,11-18H2,1H3
InChIKeyJUYPILYWPNBHAE-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.60
Rot. Bonds2

About (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone

(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 91919622) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone
PubChem CID91919622
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone
SMILESCN1CCC2(CC1)CN(C(=O)C1(c3ccccc3)CC1)Cc1ccccc1O2
InChIInChI=1S/C24H28N2O2/c1-25-15-13-23(14-16-25)18-26(17-19-7-5-6-10-21(19)28-23)22(27)24(11-12-24)20-8-3-2-4-9-20/h2-10H,11-18H2,1H3
InChIKeyJUYPILYWPNBHAE-UHFFFAOYSA-N
XLogP3.60
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone (CID 91919622) is (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone is CN1CCC2(CC1)CN(C(=O)C1(c3ccccc3)CC1)Cc1ccccc1O2.
What is the InChIKey of (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is JUYPILYWPNBHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-25-15-13-23(14-16-25)18-26(17-19-7-5-6-10-21(19)28-23)22(27)24(11-12-24)20-8-3-2-4-9-20/h2-10H,11-18H2,1H3.
What are the key properties of (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone?
(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 376.50 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 91919622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).