(5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C22H30N4O — CID 97123465

IUPAC(5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCC[C@]12CCN(CCn1cnc3ccccc31)C2
InChIInChI=1S/C22H30N4O/c27-21-22(9-4-11-25(21)15-18-5-3-6-18)10-12-24(16-22)13-14-26-17-23-19-7-1-2-8-20(19)26/h1-2,7-8,17-18H,3-6,9-16H2/t22-/m1/s1
InChIKeyRGOCGWPEUNGNIM-JOCHJYFZSA-N
MW366.51 g/mol
LogP3.15
Rot. Bonds5

About (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97123465) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97123465
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCC[C@]12CCN(CCn1cnc3ccccc31)C2
InChIInChI=1S/C22H30N4O/c27-21-22(9-4-11-25(21)15-18-5-3-6-18)10-12-24(16-22)13-14-26-17-23-19-7-1-2-8-20(19)26/h1-2,7-8,17-18H,3-6,9-16H2/t22-/m1/s1
InChIKeyRGOCGWPEUNGNIM-JOCHJYFZSA-N
XLogP3.15
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

7-(cyclobutylmethyl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72844843
(5R)-7-(cyclobutylmethyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97147308
(5R)-7-(cyclopropylmethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401866
7-(cyclobutylmethyl)-2-[2-(2-oxo-1-pyridinyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72853958
(5S)-7-(cyclopropylmethyl)-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25298850
(5S)-7-(cyclobutylmethyl)-2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97141091
7-(cyclobutylmethyl)-2-[[6-(dimethylamino)-3-pyridinyl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72871193
(5S)-2-[(2-amino-3-pyridinyl)methyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97141834
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
(5R)-7-(cyclopropylmethyl)-2-(3-methylsulfanylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26405993
(5R)-7-(cyclobutylmethyl)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97142207
7-(cyclohexylmethyl)-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45238508

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97123465) is (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCC2)CCC[C@]12CCN(CCn1cnc3ccccc31)C2.
What is the InChIKey of (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is RGOCGWPEUNGNIM-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H30N4O/c27-21-22(9-4-11-25(21)15-18-5-3-6-18)10-12-24(16-22)13-14-26-17-23-19-7-1-2-8-20(19)26/h1-2,7-8,17-18H,3-6,9-16H2/t22-/m1/s1.
What are the key properties of (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 366.51 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[2-(benzimidazol-1-yl)ethyl]-7-(cyclobutylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97123465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).