1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one

C20H28N2O — CID 134789246

IUPAC1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCCCN2CC1CCCC1
InChIInChI=1S/C20H28N2O/c23-19-20(13-17-9-3-4-10-18(17)14-21-19)11-5-6-12-22(20)15-16-7-1-2-8-16/h3-4,9-10,16H,1-2,5-8,11-15H2,(H,21,23)
InChIKeyXZBWKRLRMSUSJY-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.27
Rot. Bonds2

About 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one

1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one (PubChem CID 134789246) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one.

Molecular Properties

Compound Name1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
PubChem CID134789246
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
SMILESO=C1NCc2ccccc2CC12CCCCN2CC1CCCC1
InChIInChI=1S/C20H28N2O/c23-19-20(13-17-9-3-4-10-18(17)14-21-19)11-5-6-12-22(20)15-16-7-1-2-8-16/h3-4,9-10,16H,1-2,5-8,11-15H2,(H,21,23)
InChIKeyXZBWKRLRMSUSJY-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1'-(cyclohexylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,4'-piperidine]-3-one
CID 134788002
1'-[(3-ethoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one
CID 134787435
1'-[(2-methoxyphenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 134790713
1'-[(5-bromo-2-pyridinyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 134789199
1'-(cyclohex-3-en-1-ylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 134791241
1'-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-3-one
CID 134790376
1'-(pyridin-3-ylmethyl)spiro[1,4-dihydroquinoline-3,2'-pyrrolidine]-2-one
CID 118740605
1-(cyclopropylmethyl)-8-[(1R,2R)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 69486557
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
1-(cyclohexylmethyl)-8-[(1R,2R)-2-hydroxycyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 58820547
1-(cyclohexylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62874787
3-(cyclopentylmethyl)-2-sulfanylidenespiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]-4-one
CID 1212774

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
The IUPAC name of 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one (CID 134789246) is 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one.
What is the SMILES notation for 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
The canonical SMILES for 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one is O=C1NCc2ccccc2CC12CCCCN2CC1CCCC1.
What is the InChIKey of 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
The InChIKey is XZBWKRLRMSUSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c23-19-20(13-17-9-3-4-10-18(17)14-21-19)11-5-6-12-22(20)15-16-7-1-2-8-16/h3-4,9-10,16H,1-2,5-8,11-15H2,(H,21,23).
What are the key properties of 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one?
1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one has a molecular weight of 312.46 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopentylmethyl)spiro[2,5-dihydro-1H-2-benzazepine-4,2'-piperidine]-3-one is sourced from PubChem (CID 134789246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).