2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone

C22H33N3O2 — CID 134788311

IUPAC2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone
SMILESNCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCOCC2)C1
InChIInChI=1S/C22H33N3O2/c23-14-21(26)24-16-20-6-2-1-5-19(20)13-22(17-24)9-3-4-10-25(22)15-18-7-11-27-12-8-18/h1-2,5-6,18H,3-4,7-17,23H2
InChIKeyJUPPVPXCSQRJMW-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone

2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone (PubChem CID 134788311) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone
PubChem CID134788311
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone
SMILESNCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCOCC2)C1
InChIInChI=1S/C22H33N3O2/c23-14-21(26)24-16-20-6-2-1-5-19(20)13-22(17-24)9-3-4-10-25(22)15-18-7-11-27-12-8-18/h1-2,5-6,18H,3-4,7-17,23H2
InChIKeyJUPPVPXCSQRJMW-UHFFFAOYSA-N
XLogP2.18
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[1-(2-methylbenzyl)-3-oxo-2-piperazinyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 24817644
2-(Oxane-4-carbonyl)-1,3,6,7,8,12b-hexahydropyrazino[2,1-a][2]benzazepin-4-one
CID 14547377
2-(3-methylpiperidin-1-yl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17513887
2-methyl-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)propan-1-one
CID 118740540
2-amino-1-(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-2-yl)ethanone
CID 118740602
1-(1'-ethylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl)-2-methylpropan-1-one
CID 134787842
1'-(cyclohex-3-en-1-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
CID 134790973
N-[2-oxo-2-[1'-(pyrrolidin-3-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethyl]acetamide
CID 134787552
2-amino-1-[1'-(cyclopentylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]ethanone
CID 134787766
cyclopentyl-[1'-(piperidin-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]methanone
CID 134788099
2-methyl-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-2-yl]propan-1-one
CID 134788599
2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,3'-pyrrolidine]-2-yl]ethanone
CID 134790749

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone?
The IUPAC name of 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone (CID 134788311) is 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone.
What is the SMILES notation for 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone?
The canonical SMILES for 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone is NCC(=O)N1Cc2ccccc2CC2(CCCCN2CC2CCOCC2)C1.
What is the InChIKey of 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone?
The InChIKey is JUPPVPXCSQRJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c23-14-21(26)24-16-20-6-2-1-5-19(20)13-22(17-24)9-3-4-10-25(22)15-18-7-11-27-12-8-18/h1-2,5-6,18H,3-4,7-17,23H2.
What are the key properties of 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone?
2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone has a molecular weight of 371.53 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1'-(oxan-4-ylmethyl)spiro[3,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-2-yl]ethanone is sourced from PubChem (CID 134788311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).