(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one

C13H23N3O — CID 82388920

IUPAC(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one
SMILESCC(C)[C@@H]1NC2(CNC1=O)CC1CCC(C2)N1
InChIInChI=1S/C13H23N3O/c1-8(2)11-12(17)14-7-13(16-11)5-9-3-4-10(6-13)15-9/h8-11,15-16H,3-7H2,1-2H3,(H,14,17)/t9?,10?,11-,13?/m0/s1
InChIKeyPXNIYHLECTVDOG-FOBZMYGMSA-N
MW237.35 g/mol
LogP0.38
Rot. Bonds1

About (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one

(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one (PubChem CID 82388920) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one.

Molecular Properties

Compound Name(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one
PubChem CID82388920
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one
SMILESCC(C)[C@@H]1NC2(CNC1=O)CC1CCC(C2)N1
InChIInChI=1S/C13H23N3O/c1-8(2)11-12(17)14-7-13(16-11)5-9-3-4-10(6-13)15-9/h8-11,15-16H,3-7H2,1-2H3,(H,14,17)/t9?,10?,11-,13?/m0/s1
InChIKeyPXNIYHLECTVDOG-FOBZMYGMSA-N
XLogP0.38
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one with MolForge

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Related Compounds

(2S)-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 131543216
(2S)-2-propan-2-yl-1,4-diazaspiro[5.6]dodecan-3-one
CID 96604555
(2S)-9-amino-2-propan-2-yl-1,4-diazaspiro[5.5]undecan-3-one
CID 82391616
(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one
CID 82407658
(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
CID 59884179
spiro[1,3-oxazolidine-5,3'-8-azabicyclo[3.2.1]octane]-2-one;hydrochloride
CID 119099174
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744
trans-(12S,17S)-12,17-di(propan-2-yl)-1,4,7-trioxa-10,13,16,19-tetrazacyclohenicosane-11,14,15,18-tetrone
CID 101211203
(1S,5R)-spiro[8-azabicyclo[3.2.1]octane-3,6'-morpholine]-3'-one
CID 124680733
(2R)-2-(2-methylpropyl)-1,4-diazaspiro[5.6]dodecan-3-one
CID 96592688
(2R)-2-(2-methylpropyl)-1,4,9-triazaspiro[5.5]undecan-3-one
CID 82391615
(3R,6S)-3-methyl-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 16726027

Frequently Asked Questions

What is the IUPAC name of (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one?
The IUPAC name of (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one (CID 82388920) is (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one.
What is the SMILES notation for (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one?
The canonical SMILES for (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one is CC(C)[C@@H]1NC2(CNC1=O)CC1CCC(C2)N1.
What is the InChIKey of (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one?
The InChIKey is PXNIYHLECTVDOG-FOBZMYGMSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)11-12(17)14-7-13(16-11)5-9-3-4-10(6-13)15-9/h8-11,15-16H,3-7H2,1-2H3,(H,14,17)/t9?,10?,11-,13?/m0/s1.
What are the key properties of (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one?
(3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one has a molecular weight of 237.35 g/mol, XLogP of 0.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3'S)-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,5'-piperazine]-2'-one is sourced from PubChem (CID 82388920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).