9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C22H27N3O — CID 118743992

IUPAC9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(CCc3ccccc3)C2)N1Cc1cccnc1
InChIInChI=1S/C22H27N3O/c26-21-9-12-22(25(21)17-20-8-4-13-23-16-20)11-5-14-24(18-22)15-10-19-6-2-1-3-7-19/h1-4,6-8,13,16H,5,9-12,14-15,17-18H2
InChIKeyPSWKZUOROXKKFI-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.28
Rot. Bonds5

About 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118743992) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118743992
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(CCc3ccccc3)C2)N1Cc1cccnc1
InChIInChI=1S/C22H27N3O/c26-21-9-12-22(25(21)17-20-8-4-13-23-16-20)11-5-14-24(18-22)15-10-19-6-2-1-3-7-19/h1-4,6-8,13,16H,5,9-12,14-15,17-18H2
InChIKeyPSWKZUOROXKKFI-UHFFFAOYSA-N
XLogP3.28
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742380
1-(cyclopropylmethyl)-9-(2-phenylethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134070814
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089
(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97473214
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832
(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
8-[(1-methylimidazol-2-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493833
1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134076661
(5S)-1-benzyl-9-methyl-1,9-diazaspiro[4.6]undecan-2-one
CID 97393950
9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134073846
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788

Frequently Asked Questions

What is the IUPAC name of 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118743992) is 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCCN(CCc3ccccc3)C2)N1Cc1cccnc1.
What is the InChIKey of 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is PSWKZUOROXKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-21-9-12-22(25(21)17-20-8-4-13-23-16-20)11-5-14-24(18-22)15-10-19-6-2-1-3-7-19/h1-4,6-8,13,16H,5,9-12,14-15,17-18H2.
What are the key properties of 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 349.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118743992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).