4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile

C19H23N3O2 — CID 97399015

IUPAC4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
SMILESN#Cc1ccc(N2C[C@@]3(CCN(C4CCOCC4)C3)CC2=O)cc1
InChIInChI=1S/C19H23N3O2/c20-12-15-1-3-17(4-2-15)22-14-19(11-18(22)23)7-8-21(13-19)16-5-9-24-10-6-16/h1-4,16H,5-11,13-14H2/t19-/m0/s1
InChIKeyOOSWRDHFGRRXQT-IBGZPJMESA-N
MW325.41 g/mol
LogP2.17
Rot. Bonds2

About 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile

4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile (PubChem CID 97399015) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
PubChem CID97399015
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
SMILESN#Cc1ccc(N2C[C@@]3(CCN(C4CCOCC4)C3)CC2=O)cc1
InChIInChI=1S/C19H23N3O2/c20-12-15-1-3-17(4-2-15)22-14-19(11-18(22)23)7-8-21(13-19)16-5-9-24-10-6-16/h1-4,16H,5-11,13-14H2/t19-/m0/s1
InChIKeyOOSWRDHFGRRXQT-IBGZPJMESA-N
XLogP2.17
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile with MolForge

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Related Compounds

4-[7-(6-methylpyridazin-3-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 131654551
4-[7-[2-(dimethylamino)acetyl]-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 134073075
4-[3-oxo-7-(1H-pyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile
CID 131681839
2-(oxan-4-yl)-2,8-diazaspiro[4.5]decane
CID 169161347
7-(oxan-4-ylmethyl)-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131639386
9-cyclohexyl-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985840
4-(5-azaspiro[2.5]octan-5-yl)benzonitrile
CID 133480870
methyl 2-[4-[4-(4-cyanophenyl)-3-oxopiperazin-1-yl]piperidin-1-yl]acetate
CID 54368816
4-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)benzonitrile
CID 11068507
7-(oxolane-3-carbonyl)-2-thiophen-3-yl-2,7-diazaspiro[4.4]nonan-3-one
CID 131690115
7-(2-cyclopropylacetyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131652638
7-(cyclopropanecarbonyl)-2-(4-methoxyphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131649039

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The IUPAC name of 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile (CID 97399015) is 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile.
What is the SMILES notation for 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The canonical SMILES for 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile is N#Cc1ccc(N2C[C@@]3(CCN(C4CCOCC4)C3)CC2=O)cc1.
What is the InChIKey of 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
The InChIKey is OOSWRDHFGRRXQT-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N3O2/c20-12-15-1-3-17(4-2-15)22-14-19(11-18(22)23)7-8-21(13-19)16-5-9-24-10-6-16/h1-4,16H,5-11,13-14H2/t19-/m0/s1.
What are the key properties of 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile?
4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile has a molecular weight of 325.41 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-7-(oxan-4-yl)-3-oxo-2,7-diazaspiro[4.4]nonan-2-yl]benzonitrile is sourced from PubChem (CID 97399015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).