2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide

C27H38N6O2 — CID 130200641

IUPAC2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccn(C)n1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H38N6O2/c1-30(2)27(22-10-5-4-6-11-22)15-13-26(14-16-27)20-32(25(35)33(26)18-21-8-7-9-21)19-24(34)28-23-12-17-31(3)29-23/h4-6,10-12,17,21H,7-9,13-16,18-20H2,1-3H3,(H,28,29,34)
InChIKeyUPINQTRIYGYCCU-UHFFFAOYSA-N
MW478.64 g/mol
LogP3.67
Rot. Bonds7

About 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide

2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide (PubChem CID 130200641) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
PubChem CID130200641
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccn(C)n1)C(=O)N2CC1CCC1
InChIInChI=1S/C27H38N6O2/c1-30(2)27(22-10-5-4-6-11-22)15-13-26(14-16-27)20-32(25(35)33(26)18-21-8-7-9-21)19-24(34)28-23-12-17-31(3)29-23/h4-6,10-12,17,21H,7-9,13-16,18-20H2,1-3H3,(H,28,29,34)
InChIKeyUPINQTRIYGYCCU-UHFFFAOYSA-N
XLogP3.67
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide (CID 130200641) is 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC(=O)Nc1ccn(C)n1)C(=O)N2CC1CCC1.
What is the InChIKey of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
The InChIKey is UPINQTRIYGYCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-30(2)27(22-10-5-4-6-11-22)15-13-26(14-16-27)20-32(25(35)33(26)18-21-8-7-9-21)19-24(34)28-23-12-17-31(3)29-23/h4-6,10-12,17,21H,7-9,13-16,18-20H2,1-3H3,(H,28,29,34).
What are the key properties of 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide?
2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide has a molecular weight of 478.64 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 130200641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).