2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one

C20H22N4O2 — CID 97452762

IUPAC2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
SMILESCN1Cc2ccccc2CC2(CCN(C(=O)c3cnccn3)CC2)C1=O
InChIInChI=1S/C20H22N4O2/c1-23-14-16-5-3-2-4-15(16)12-20(19(23)26)6-10-24(11-7-20)18(25)17-13-21-8-9-22-17/h2-5,8-9,13H,6-7,10-12,14H2,1H3
InChIKeySHSHQOBQFUKNGG-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.91
Rot. Bonds1

About 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one

2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one (PubChem CID 97452762) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one.

Molecular Properties

Compound Name2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
PubChem CID97452762
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
SMILESCN1Cc2ccccc2CC2(CCN(C(=O)c3cnccn3)CC2)C1=O
InChIInChI=1S/C20H22N4O2/c1-23-14-16-5-3-2-4-15(16)12-20(19(23)26)6-10-24(11-7-20)18(25)17-13-21-8-9-22-17/h2-5,8-9,13H,6-7,10-12,14H2,1H3
InChIKeySHSHQOBQFUKNGG-UHFFFAOYSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(2-hydroxyethyl)-2-methylspiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 97409691
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
1'-[2-(dimethylamino)acetyl]-2-methylspiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one;2,2,2-trifluoroacetic acid
CID 118744518
2-methyl-1'-pyridin-2-ylspiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one;2,2,2-trifluoroacetic acid
CID 155839042
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
N,N-dimethyl-2-[1-oxo-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97370251
1-(4-methylpiperazin-1-yl)-2-[(1R)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376073
1-(4-methylpiperazin-1-yl)-2-[(1S)-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]ethanone
CID 97376072
(4S)-1-methyl-8-(pyrazine-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97470051
1'-(2-methylpyrazole-3-carbonyl)-2-propan-2-ylspiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one
CID 131682677
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
N-methyl-1'-(pyrazine-2-carbonyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide
CID 131640770

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
The IUPAC name of 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one (CID 97452762) is 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one.
What is the SMILES notation for 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
The canonical SMILES for 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one is CN1Cc2ccccc2CC2(CCN(C(=O)c3cnccn3)CC2)C1=O.
What is the InChIKey of 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
The InChIKey is SHSHQOBQFUKNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-14-16-5-3-2-4-15(16)12-20(19(23)26)6-10-24(11-7-20)18(25)17-13-21-8-9-22-17/h2-5,8-9,13H,6-7,10-12,14H2,1H3.
What are the key properties of 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one?
2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one has a molecular weight of 350.42 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1'-(pyrazine-2-carbonyl)spiro[1,5-dihydro-2-benzazepine-4,4'-piperidine]-3-one is sourced from PubChem (CID 97452762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).