3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C16H25N3O4 — CID 95582777

IUPAC3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCO[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1
InChIInChI=1S/C16H25N3O4/c1-2-23-12-6-5-9-18(10-12)13(20)11-19-14(21)16(17-15(19)22)7-3-4-8-16/h12H,2-11H2,1H3,(H,17,22)/t12-/m0/s1
InChIKeyIANMAPBNLCONIQ-LBPRGKRZSA-N
MW323.39 g/mol
LogP0.88
Rot. Bonds4

About 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 95582777) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID95582777
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCCO[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1
InChIInChI=1S/C16H25N3O4/c1-2-23-12-6-5-9-18(10-12)13(20)11-19-14(21)16(17-15(19)22)7-3-4-8-16/h12H,2-11H2,1H3,(H,17,22)/t12-/m0/s1
InChIKeyIANMAPBNLCONIQ-LBPRGKRZSA-N
XLogP0.88
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(2-Morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2583790
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 3000204
3-[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 3986277
3-(2-Morpholin-4-yl-2-oxoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2450111
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16196749
3-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 8002972
3-[(2,6-Dimethylmorpholin-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16374466
3-[[(2S)-2-ethylmorpholin-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 25576805
3-[2-[4-(2-Methyl-1,3-dioxolan-2-yl)piperidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71855528
3-[2-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 132323835
3-[3-[2-(Fluoromethyl)morpholin-4-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 136547627
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(2-methoxyethyl)acetamide
CID 3889985

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 95582777) is 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CCO[C@H]1CCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1.
What is the InChIKey of 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is IANMAPBNLCONIQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O4/c1-2-23-12-6-5-9-18(10-12)13(20)11-19-14(21)16(17-15(19)22)7-3-4-8-16/h12H,2-11H2,1H3,(H,17,22)/t12-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 323.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-ethoxypiperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 95582777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).