1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one

C23H29N3O — CID 97272698

IUPAC1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
SMILESCN1C[C@H](c2ccccc2)CC12CCN(C(=O)CCc1ccncc1)CC2
InChIInChI=1S/C23H29N3O/c1-25-18-21(20-5-3-2-4-6-20)17-23(25)11-15-26(16-12-23)22(27)8-7-19-9-13-24-14-10-19/h2-6,9-10,13-14,21H,7-8,11-12,15-18H2,1H3/t21-/m1/s1
InChIKeyWSKAQSNKAWDKQM-OAQYLSRUSA-N
MW363.51 g/mol
LogP3.49
Rot. Bonds4

About 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one

1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 97272698) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID97272698
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one
SMILESCN1C[C@H](c2ccccc2)CC12CCN(C(=O)CCc1ccncc1)CC2
InChIInChI=1S/C23H29N3O/c1-25-18-21(20-5-3-2-4-6-20)17-23(25)11-15-26(16-12-23)22(27)8-7-19-9-13-24-14-10-19/h2-6,9-10,13-14,21H,7-8,11-12,15-18H2,1H3/t21-/m1/s1
InChIKeyWSKAQSNKAWDKQM-OAQYLSRUSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-4-ylethanone
CID 97271298
1-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 72913279
(E)-1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pent-3-en-1-one
CID 97276986
methyl 5-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-5-oxopentanoate
CID 97278100
2-(2-hydroxyphenyl)-1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 97444886
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
1-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethane-1,2-dione
CID 97453749
(3aR,6S,7aR)-6-phenyl-2-(3-pyridin-4-ylpropanoyl)-3,4,5,6,7,7a-hexahydro-1H-isoindole-3a-carboxylic acid
CID 119064450
(2-ethylpyrimidin-5-yl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72926028
(4-chlorophenyl)-[(3R)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97283105
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one (CID 97272698) is 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one is CN1C[C@H](c2ccccc2)CC12CCN(C(=O)CCc1ccncc1)CC2.
What is the InChIKey of 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is WSKAQSNKAWDKQM-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O/c1-25-18-21(20-5-3-2-4-6-20)17-23(25)11-15-26(16-12-23)22(27)8-7-19-9-13-24-14-10-19/h2-6,9-10,13-14,21H,7-8,11-12,15-18H2,1H3/t21-/m1/s1.
What are the key properties of 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one?
1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 363.51 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 97272698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).