2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C22H30N4O4 — CID 175640827

IUPAC2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C22H30N4O4/c27-19-17(14-16-2-1-3-18(16)23-19)20(28)26-7-5-22(15-26)4-6-25(21(22)29)9-8-24-10-12-30-13-11-24/h14H,1-13,15H2,(H,23,27)
InChIKeyAVCVTLJUHHWLNN-UHFFFAOYSA-N
MW414.51 g/mol
LogP0.26
Rot. Bonds4

About 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175640827) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175640827
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C(c1cc2c([nH]c1=O)CCC2)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1
InChIInChI=1S/C22H30N4O4/c27-19-17(14-16-2-1-3-18(16)23-19)20(28)26-7-5-22(15-26)4-6-25(21(22)29)9-8-24-10-12-30-13-11-24/h14H,1-13,15H2,(H,23,27)
InChIKeyAVCVTLJUHHWLNN-UHFFFAOYSA-N
XLogP0.26
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

7-(2H-benzotriazole-5-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642547
7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642802
2-(2-morpholin-4-ylethyl)-7-[4-(trifluoromethyl)pyridine-3-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175644031
2-(2-morpholin-4-ylethyl)-7-(1H-pyrrolo[2,3-b]pyridine-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646163
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643514
3-[3-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 167748261
3-cyclobutyl-1-(2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 166284807
(5S)-9-(2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95712680
3-[(3S)-3-(hydroxymethyl)-3-(3-methylbut-2-enyl)piperidine-1-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 97139078
(5R)-2-(3,4-dihydro-2H-chromene-6-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97124790
N-(3-morpholin-4-ylpropyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495547
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one;hydrochloride
CID 120814125

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175640827) is 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(c1cc2c([nH]c1=O)CCC2)N1CCC2(CCN(CCN3CCOCC3)C2=O)C1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is AVCVTLJUHHWLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c27-19-17(14-16-2-1-3-18(16)23-19)20(28)26-7-5-22(15-26)4-6-25(21(22)29)9-8-24-10-12-30-13-11-24/h14H,1-13,15H2,(H,23,27).
What are the key properties of 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 414.51 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-7-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175640827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).