(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C23H29N3O — CID 97144161

IUPAC(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccccn3)CC2)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C23H29N3O/c1-2-26-18-23(16-21(22(26)27)19-8-4-3-5-9-19)11-14-25(15-12-23)17-20-10-6-7-13-24-20/h3-10,13,21H,2,11-12,14-18H2,1H3/t21-/m1/s1
InChIKeyVHXZEYYRRQTYKB-OAQYLSRUSA-N
MW363.50 g/mol
LogP3.70
Rot. Bonds4

About (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97144161) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97144161
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCN(Cc3ccccn3)CC2)C[C@H](c2ccccc2)C1=O
InChIInChI=1S/C23H29N3O/c1-2-26-18-23(16-21(22(26)27)19-8-4-3-5-9-19)11-14-25(15-12-23)17-20-10-6-7-13-24-20/h3-10,13,21H,2,11-12,14-18H2,1H3/t21-/m1/s1
InChIKeyVHXZEYYRRQTYKB-OAQYLSRUSA-N
XLogP3.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
(4S)-2-ethyl-4-phenyl-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-3-one
CID 97147860
(3R)-1-(2-methoxyethyl)-3-phenyl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97383983
3-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N,N-dimethylpropanamide
CID 72863507
(4S)-9-cyclopropylsulfonyl-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97138482
(4S)-2-ethyl-9-(2-hydroxyacetyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97149815
(4R)-2-cyclopropyl-4-phenyl-9-(2-pyridin-2-ylethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97135359
N-cyclopropyl-2-(2-ethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)acetamide
CID 72896129
2-cyclopropyl-4-phenyl-9-(pyrimidin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72890965
2-ethyl-4-phenyl-9-(pyridazine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72887510
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125011492

Frequently Asked Questions

What is the IUPAC name of (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97144161) is (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCN(Cc3ccccn3)CC2)C[C@H](c2ccccc2)C1=O.
What is the InChIKey of (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is VHXZEYYRRQTYKB-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-26-18-23(16-21(22(26)27)19-8-4-3-5-9-19)11-14-25(15-12-23)17-20-10-6-7-13-24-20/h3-10,13,21H,2,11-12,14-18H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
(4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 363.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-ethyl-4-phenyl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97144161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).