1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone

C22H31N3O3 — CID 134788094

IUPAC1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)C1CCN(C)CC1)Cc1ccccc1O2
InChIInChI=1S/C22H31N3O3/c1-17(26)24-13-9-22(10-14-24)16-25(15-19-5-3-4-6-20(19)28-22)21(27)18-7-11-23(2)12-8-18/h3-6,18H,7-16H2,1-2H3
InChIKeyWYWXFFCYLFDITI-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.13
Rot. Bonds1

About 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone

1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone (PubChem CID 134788094) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone
PubChem CID134788094
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)C1CCN(C)CC1)Cc1ccccc1O2
InChIInChI=1S/C22H31N3O3/c1-17(26)24-13-9-22(10-14-24)16-25(15-19-5-3-4-6-20(19)28-22)21(27)18-7-11-23(2)12-8-18/h3-6,18H,7-16H2,1-2H3
InChIKeyWYWXFFCYLFDITI-UHFFFAOYSA-N
XLogP2.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone with MolForge

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Related Compounds

1-(2-Methoxybenzyl)-4-(phenoxyacetyl)piperazine
CID 712556
N-benzyl-1-(2-methoxybenzyl)-N-methylpiperidine-3-carboxamide
CID 3237704
1-[4-[1-[(2-Methoxyphenyl)methyl]piperidin-4-yl]piperidin-1-yl]ethanone
CID 10936439
N-cyclopropyl-1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 24792149
US11203600, Example 33
CID 142475885
US11203600, Example 7
CID 142475914
US11203600, Example 21
CID 142475941
US11203600, Example 20
CID 142475967
US11203600, Example 18
CID 142475973
US11203600, Example 13
CID 142476014
US11203600, Example 68
CID 142476021
US11203600, Example 32
CID 142476029

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone (CID 134788094) is 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)CN(C(=O)C1CCN(C)CC1)Cc1ccccc1O2.
What is the InChIKey of 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone?
The InChIKey is WYWXFFCYLFDITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-17(26)24-13-9-22(10-14-24)16-25(15-19-5-3-4-6-20(19)28-22)21(27)18-7-11-23(2)12-8-18/h3-6,18H,7-16H2,1-2H3.
What are the key properties of 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone?
1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone has a molecular weight of 385.51 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methylpiperidine-4-carbonyl)spiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 134788094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).