1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one

C19H26N2O2 — CID 97481590

IUPAC1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@]12CCCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H26N2O2/c1-15(2)17(22)21-13-7-11-19(21)10-6-12-20(14-19)18(23)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3/t19-/m0/s1
InChIKeyKZRXZYBGGRAGAC-IBGZPJMESA-N
MW314.43 g/mol
LogP2.94
Rot. Bonds2

About 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one

1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one (PubChem CID 97481590) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
PubChem CID97481590
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC[C@]12CCCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H26N2O2/c1-15(2)17(22)21-13-7-11-19(21)10-6-12-20(14-19)18(23)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3/t19-/m0/s1
InChIKeyKZRXZYBGGRAGAC-IBGZPJMESA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(5R)-7-(1,2-oxazole-5-carbonyl)-1,7-diazaspiro[4.4]nonan-1-yl]propan-1-one
CID 97473084
2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one
CID 131688309
(1'-methylspiro[3,5-dihydro-1H-2-benzazepine-4,2'-pyrrolidine]-2-yl)-phenylmethanone
CID 155901303
2-amino-1-(1'-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-2-yl)ethanone
CID 134787447
1-(2-benzoylspiro[1,4-dihydroisoquinoline-3,3'-piperidine]-1'-yl)ethanone
CID 134790826
phenyl-(3-propan-2-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-en-9-yl)methanone
CID 134789259
2-methyl-1-[9-[(6-methyl-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-1-yl]propan-1-one
CID 131645591
1-[(7R,8aR)-2-benzoyl-7-hydroxyspiro[1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1'-yl]-2-methylpropan-1-one
CID 125417785
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
1-benzoyl-3-methyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119502630
(2R)-2-benzyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 159272717
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one (CID 97481590) is 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC[C@]12CCCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one?
The InChIKey is KZRXZYBGGRAGAC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15(2)17(22)21-13-7-11-19(21)10-6-12-20(14-19)18(23)16-8-4-3-5-9-16/h3-5,8-9,15H,6-7,10-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one?
1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one has a molecular weight of 314.43 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-9-benzoyl-1,9-diazaspiro[4.5]decan-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 97481590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).