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

C23H35N3O2 — CID 97189725

IUPAC1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
SMILESCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCN3CCOCC3)CC2)C1
InChIInChI=1S/C23H35N3O2/c1-24-18-21(20-5-3-2-4-6-20)17-23(19-24)8-11-26(12-9-23)22(27)7-10-25-13-15-28-16-14-25/h2-6,21H,7-19H2,1H3/t21-/m1/s1
InChIKeyYKZZZHWUJUOAKI-OAQYLSRUSA-N
MW385.55 g/mol
LogP2.44
Rot. Bonds4

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

1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 97189725) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID97189725
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one
SMILESCN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCN3CCOCC3)CC2)C1
InChIInChI=1S/C23H35N3O2/c1-24-18-21(20-5-3-2-4-6-20)17-23(19-24)8-11-26(12-9-23)22(27)7-10-25-13-15-28-16-14-25/h2-6,21H,7-19H2,1H3/t21-/m1/s1
InChIKeyYKZZZHWUJUOAKI-OAQYLSRUSA-N
XLogP2.44
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 97157011
3-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 72941270
[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97453778
1-(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-2-methylsulfanylethanone
CID 72868702
[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97446177
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
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-morpholin-4-ylmethanone
CID 97110511
5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-5-oxopentanamide
CID 72896512
[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 97445987
(1-cyclopropylpyrrol-2-yl)-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97192769
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one (CID 97189725) is 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one is CN1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCN3CCOCC3)CC2)C1.
What is the InChIKey of 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is YKZZZHWUJUOAKI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-24-18-21(20-5-3-2-4-6-20)17-23(19-24)8-11-26(12-9-23)22(27)7-10-25-13-15-28-16-14-25/h2-6,21H,7-19H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one?
1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 385.55 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 97189725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).