(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

C17H25N3O — CID 96580636

IUPAC(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C[C@@]2(CCCN(c3ccccn3)C2)CCC1=O
InChIInChI=1S/C17H25N3O/c1-14(2)20-13-17(9-7-16(20)21)8-5-11-19(12-17)15-6-3-4-10-18-15/h3-4,6,10,14H,5,7-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyAQGLSDYJVSCQOI-KRWDZBQOSA-N
MW287.41 g/mol
LogP2.70
Rot. Bonds2

About (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96580636) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96580636
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)N1C[C@@]2(CCCN(c3ccccn3)C2)CCC1=O
InChIInChI=1S/C17H25N3O/c1-14(2)20-13-17(9-7-16(20)21)8-5-11-19(12-17)15-6-3-4-10-18-15/h3-4,6,10,14H,5,7-9,11-13H2,1-2H3/t17-/m0/s1
InChIKeyAQGLSDYJVSCQOI-KRWDZBQOSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-methylpyrazin-2-yl)methyl]-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70711857
8-(5-chloro-3-fluoro-2-pyridinyl)-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70741212
(5R)-N,N-dimethyl-9-pyridin-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 97483862
(5S)-7-methylsulfonyl-2-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 3234926
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95862608
2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 70742647
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
(5R)-2-[(3S)-oxolan-3-yl]-7-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 98777895
phenyl 2-pyridin-2-yl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 3233977
8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746280

Frequently Asked Questions

What is the IUPAC name of (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one (CID 96580636) is (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is CC(C)N1C[C@@]2(CCCN(c3ccccn3)C2)CCC1=O.
What is the InChIKey of (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is AQGLSDYJVSCQOI-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14(2)20-13-17(9-7-16(20)21)8-5-11-19(12-17)15-6-3-4-10-18-15/h3-4,6,10,14H,5,7-9,11-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 287.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-propan-2-yl-8-pyridin-2-yl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96580636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).