1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile

C28H38N4O2 — CID 157220490

IUPAC1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1(C#N)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H38N4O2/c1-30(2)28(23-9-4-3-5-10-23)15-13-27(14-16-28)21-31(19-24(33)17-26(20-29)11-12-26)25(34)32(27)18-22-7-6-8-22/h3-5,9-10,22H,6-8,11-19,21H2,1-2H3
InChIKeyPRIIIIWTPXDYRX-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.56
Rot. Bonds8

About 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile

1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile (PubChem CID 157220490) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
PubChem CID157220490
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1(C#N)CC1)C(=O)N2CC1CCC1
InChIInChI=1S/C28H38N4O2/c1-30(2)28(23-9-4-3-5-10-23)15-13-27(14-16-28)21-31(19-24(33)17-26(20-29)11-12-26)25(34)32(27)18-22-7-6-8-22/h3-5,9-10,22H,6-8,11-19,21H2,1-2H3
InChIKeyPRIIIIWTPXDYRX-UHFFFAOYSA-N
XLogP4.56
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile with MolForge

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Related Compounds

5-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-oxopentanenitrile
CID 157213807
1-(cyclobutylmethyl)-8-(dimethylamino)-3-(5-methoxy-2-oxopentyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 158020054
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
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-[2-oxo-3-(6-oxo-1H-pyridin-2-yl)propyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157157133
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
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)-8-(dimethylamino)-3-[3-(6-methyl-3-pyridinyl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 157453344
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
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-oxo-1H-pyrimidin-5-yl)acetamide
CID 130200776
1-(cyclobutylmethyl)-8-(dimethylamino)-3-[3-(5-fluoropyrimidin-4-yl)-2-oxopropyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 162160029

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
The IUPAC name of 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) is 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)CC1(C#N)CC1)C(=O)N2CC1CCC1.
What is the InChIKey of 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
The InChIKey is PRIIIIWTPXDYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-30(2)28(23-9-4-3-5-10-23)15-13-27(14-16-28)21-31(19-24(33)17-26(20-29)11-12-26)25(34)32(27)18-22-7-6-8-22/h3-5,9-10,22H,6-8,11-19,21H2,1-2H3.
What are the key properties of 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile?
1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile has a molecular weight of 462.64 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-oxopropyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 157220490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).