8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C16H23N3O2 — CID 134074654

IUPAC8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1CCC2(CC1)NC(=O)CC2c1cccnc1
InChIInChI=1S/C16H23N3O2/c1-21-10-9-19-7-4-16(5-8-19)14(11-15(20)18-16)13-3-2-6-17-12-13/h2-3,6,12,14H,4-5,7-11H2,1H3,(H,18,20)
InChIKeyMDDJUYYMFJNWKX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.17
Rot. Bonds4

About 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 134074654) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID134074654
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1CCC2(CC1)NC(=O)CC2c1cccnc1
InChIInChI=1S/C16H23N3O2/c1-21-10-9-19-7-4-16(5-8-19)14(11-15(20)18-16)13-3-2-6-17-12-13/h2-3,6,12,14H,4-5,7-11H2,1H3,(H,18,20)
InChIKeyMDDJUYYMFJNWKX-UHFFFAOYSA-N
XLogP1.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469769
(4S)-8-[(4-fluorophenyl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97384074
8-[(5-methylthiophen-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131656109
(4S)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391768
(4S)-4-pyridin-3-yl-8-(1H-pyrrole-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469794
8-[(5-methylfuran-2-yl)methyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155824762
4-pyridin-3-yl-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131648546
(4S)-8-[(3S)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391776
(4S)-8-[(3R)-oxolane-3-carbonyl]-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97391774
(4R)-8-[(1-methylimidazol-2-yl)methyl]-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469969
(4R)-4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469985
4-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131640509

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 134074654) is 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is COCCN1CCC2(CC1)NC(=O)CC2c1cccnc1.
What is the InChIKey of 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MDDJUYYMFJNWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-21-10-9-19-7-4-16(5-8-19)14(11-15(20)18-16)13-3-2-6-17-12-13/h2-3,6,12,14H,4-5,7-11H2,1H3,(H,18,20).
What are the key properties of 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-4-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134074654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).