(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

C22H28N4O2 — CID 97138977

IUPAC(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)o1
InChIInChI=1S/C22H28N4O2/c1-16-23-24-20(28-16)14-25-11-9-22(10-12-25)13-19(17-5-3-2-4-6-17)21(27)26(15-22)18-7-8-18/h2-6,18-19H,7-15H2,1H3/t19-/m1/s1
InChIKeyLSMLGYPXPLKRJW-LJQANCHMSA-N
MW380.49 g/mol
LogP3.14
Rot. Bonds4

About (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97138977) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97138977
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)o1
InChIInChI=1S/C22H28N4O2/c1-16-23-24-20(28-16)14-25-11-9-22(10-12-25)13-19(17-5-3-2-4-6-17)21(27)26(15-22)18-7-8-18/h2-6,18-19H,7-15H2,1H3/t19-/m1/s1
InChIKeyLSMLGYPXPLKRJW-LJQANCHMSA-N
XLogP3.14
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890965
(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
2-cyclopropyl-9-(1H-imidazol-2-ylmethyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72839202
(4R)-2-cyclopropyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138426
ethyl 2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 72893524
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97135359
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-N-ethylacetamide
CID 97116302
(4S)-2-cyclopropyl-9-(2-methylsulfanylacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97190134
2-cyclopropyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72876917
2-cyclopropyl-9-(4-methylpyrimidin-2-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72918787
2-cyclopropyl-9-(6-methylpyrimidin-4-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72850468

Frequently Asked Questions

What is the IUPAC name of (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (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) is (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is Cc1nnc(CN2CCC3(CC2)C[C@H](c2ccccc2)C(=O)N(C2CC2)C3)o1.
What is the InChIKey of (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LSMLGYPXPLKRJW-LJQANCHMSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-23-24-20(28-16)14-25-11-9-22(10-12-25)13-19(17-5-3-2-4-6-17)21(27)26(15-22)18-7-8-18/h2-6,18-19H,7-15H2,1H3/t19-/m1/s1.
What are the key properties of (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.49 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-cyclopropyl-9-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97138977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).