3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one

C23H35N3O — CID 97157011

IUPAC3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-24-18-21(20-7-3-2-4-8-20)17-23(19-24)10-15-25(16-11-23)14-9-22(27)26-12-5-6-13-26/h2-4,7-8,21H,5-6,9-19H2,1H3/t21-/m1/s1
InChIKeyQVBMZYRGXQTUAG-OAQYLSRUSA-N
MW369.55 g/mol
LogP3.20
Rot. Bonds4

About 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 97157011) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID97157011
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCN1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C23H35N3O/c1-24-18-21(20-7-3-2-4-8-20)17-23(19-24)10-15-25(16-11-23)14-9-22(27)26-12-5-6-13-26/h2-4,7-8,21H,5-6,9-19H2,1H3/t21-/m1/s1
InChIKeyQVBMZYRGXQTUAG-OAQYLSRUSA-N
XLogP3.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
CID 97189725
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
1,1-dimethyl-3-[2-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]urea
CID 72904104
2-(N-methylanilino)-1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97444814
3-[(4R)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]propanoic acid
CID 97199559
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97446177
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 97157011) is 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one is CN1C[C@H](c2ccccc2)CC2(CCN(CCC(=O)N3CCCC3)CC2)C1.
What is the InChIKey of 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QVBMZYRGXQTUAG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H35N3O/c1-24-18-21(20-7-3-2-4-8-20)17-23(19-24)10-15-25(16-11-23)14-9-22(27)26-12-5-6-13-26/h2-4,7-8,21H,5-6,9-19H2,1H3/t21-/m1/s1.
What are the key properties of 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 369.55 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 97157011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).