9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H30N4O2 — CID 97471492

IUPAC9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(CN2CC3(CCN(CCN(C)C)CC3)OCC2=O)n1
InChIInChI=1S/C19H30N4O2/c1-16-5-4-6-17(20-16)13-23-15-19(25-14-18(23)24)7-9-22(10-8-19)12-11-21(2)3/h4-6H,7-15H2,1-3H3
InChIKeyGFILXGGFBYFGJE-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.15
Rot. Bonds5

About 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471492) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471492
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(CN2CC3(CCN(CCN(C)C)CC3)OCC2=O)n1
InChIInChI=1S/C19H30N4O2/c1-16-5-4-6-17(20-16)13-23-15-19(25-14-18(23)24)7-9-22(10-8-19)12-11-21(2)3/h4-6H,7-15H2,1-3H3
InChIKeyGFILXGGFBYFGJE-UHFFFAOYSA-N
XLogP1.15
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

4-[(6-methyl-2-pyridinyl)methyl]-9-(thiophene-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155829039
4-ethyl-8-[(6-methyl-2-pyridinyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 155836405
4-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;tris(2,2,2-trifluoroacetic acid)
CID 155840249
2-[(6-methyl-2-pyridinyl)methyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687291
9-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-8-oxo-6-oxa-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 121495253
9-ethylsulfonyl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451062
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
4-ethyl-1-methyl-9-[(6-methyl-2-pyridinyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398686
2-(2-methylpropyl)-1'-[(6-methyl-2-pyridinyl)methyl]spiro[6,9-dihydro-[1,4]oxazino[3,4-c][1,2,4]triazine-7,3'-pyrrolidine]-3,4-dione
CID 131670119
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 67564699
9-ethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155836446
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129

Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471492) is 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(CN2CC3(CCN(CCN(C)C)CC3)OCC2=O)n1.
What is the InChIKey of 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is GFILXGGFBYFGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-16-5-4-6-17(20-16)13-23-15-19(25-14-18(23)24)7-9-22(10-8-19)12-11-21(2)3/h4-6H,7-15H2,1-3H3.
What are the key properties of 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.48 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).