[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

C20H29N3O2 — CID 97450456

IUPAC[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(17-5-13-25-15-17)23-11-7-20(8-12-23)6-3-10-22(16-20)14-18-4-1-2-9-21-18/h1-2,4,9,17H,3,5-8,10-16H2/t17-/m0/s1
InChIKeyGJPODRIYDINESD-KRWDZBQOSA-N
MW343.47 g/mol
LogP2.32
Rot. Bonds3

About [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone

[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (PubChem CID 97450456) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
PubChem CID97450456
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
SMILESO=C([C@H]1CCOC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(17-5-13-25-15-17)23-11-7-20(8-12-23)6-3-10-22(16-20)14-18-4-1-2-9-21-18/h1-2,4,9,17H,3,5-8,10-16H2/t17-/m0/s1
InChIKeyGJPODRIYDINESD-KRWDZBQOSA-N
XLogP2.32
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

oxan-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 133144937
oxolan-3-yl-[9-(pyridin-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 134077446
[(3R)-oxolan-3-yl]-[4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450798
morpholin-4-yl-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97450463
(5R)-2-[[(3S)-oxolan-3-yl]methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decane
CID 97450038
[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[(3S)-oxolan-3-yl]methanone
CID 97362548
2-(oxan-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131652843
[(3R)-oxolan-3-yl]-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449429
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
3,3,3-trifluoro-1-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
CID 97450451
9-cyclopropylsulfonyl-2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 97450461

Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The IUPAC name of [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone (CID 97450456) is [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone.
What is the SMILES notation for [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The canonical SMILES for [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is O=C([C@H]1CCOC1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1.
What is the InChIKey of [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
The InChIKey is GJPODRIYDINESD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(17-5-13-25-15-17)23-11-7-20(8-12-23)6-3-10-22(16-20)14-18-4-1-2-9-21-18/h1-2,4,9,17H,3,5-8,10-16H2/t17-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone?
[(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl]-[2-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]methanone is sourced from PubChem (CID 97450456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).