2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C22H28N4O — CID 72839202

IUPAC2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)CN1C1CC1
InChIInChI=1S/C22H28N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)15-20-23-10-11-24-20/h1-5,10-11,18-19H,6-9,12-16H2,(H,23,24)
InChIKeyWSPMEYDLRBQVAT-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.17
Rot. Bonds4

About 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72839202) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72839202
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1C(c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)CN1C1CC1
InChIInChI=1S/C22H28N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)15-20-23-10-11-24-20/h1-5,10-11,18-19H,6-9,12-16H2,(H,23,24)
InChIKeyWSPMEYDLRBQVAT-UHFFFAOYSA-N
XLogP3.17
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890965
2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72895513
(4R)-2-ethyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97135166
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97135359
(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138977
(4S)-2-cyclopropyl-9-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97437391
2-cyclopropyl-9-(2-ethoxyethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72936317
(4S)-2-cyclopropyl-4-phenyl-9-piperidin-4-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97122546
2-cyclopropyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72876917
(4S)-2-cyclopropyl-4-phenyl-9-(pyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97194577
2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918787
(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138426

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72839202) is 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is O=C1C(c2ccccc2)CC2(CCN(Cc3ncc[nH]3)CC2)CN1C1CC1.
What is the InChIKey of 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is WSPMEYDLRBQVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-21-19(17-4-2-1-3-5-17)14-22(16-26(21)18-6-7-18)8-12-25(13-9-22)15-20-23-10-11-24-20/h1-5,10-11,18-19H,6-9,12-16H2,(H,23,24).
What are the key properties of 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72839202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).