5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile

C26H36N4O2 — CID 157213807

IUPAC5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC#N)C(=O)N2CC1CCC1
InChIInChI=1S/C26H36N4O2/c1-28(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-29(19-23(31)12-7-17-27)24(32)30(25)18-21-8-6-9-21/h3-5,10-11,21H,6-9,12-16,18-20H2,1-2H3
InChIKeyQUBJEYMSKWXJBW-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.17
Rot. Bonds8

About 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile

5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile (PubChem CID 157213807) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile.

Molecular Properties

Compound Name5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
PubChem CID157213807
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC#N)C(=O)N2CC1CCC1
InChIInChI=1S/C26H36N4O2/c1-28(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-29(19-23(31)12-7-17-27)24(32)30(25)18-21-8-6-9-21/h3-5,10-11,21H,6-9,12-16,18-20H2,1-2H3
InChIKeyQUBJEYMSKWXJBW-UHFFFAOYSA-N
XLogP4.17
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
CID 157220490
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157157133
2-[[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]amino]-2-methylpropanamide
CID 130200569
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 130200463
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 130200593
N-(2-cyanopyrimidin-5-yl)-2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 130200474
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157453344
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(3-methyl-4-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157453342
1-(cyclobutylmethyl)-3-[2-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]-2-oxoethyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201227
1-(cyclobutylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(5-hydroxy-2-oxopentyl)-1,3-diazaspiro[4.5]decan-2-one
CID 158263194
1-(cyclobutylmethyl)-3-[3-(3,4-dihydroxypyrrolidin-1-yl)-3-oxopropyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 130201035

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile?
The IUPAC name of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile (CID 157213807) is 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile.
What is the SMILES notation for 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile?
The canonical SMILES for 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CCC#N)C(=O)N2CC1CCC1.
What is the InChIKey of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile?
The InChIKey is QUBJEYMSKWXJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-28(2)26(22-10-4-3-5-11-22)15-13-25(14-16-26)20-29(19-23(31)12-7-17-27)24(32)30(25)18-21-8-6-9-21/h3-5,10-11,21H,6-9,12-16,18-20H2,1-2H3.
What are the key properties of 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile?
5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile has a molecular weight of 436.60 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile is sourced from PubChem (CID 157213807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).