[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone

C22H27N3O — CID 45195230

IUPAC[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C22H27N3O/c26-21(20-8-4-12-23-16-20)25-15-11-22(18-25)10-5-13-24(17-22)14-9-19-6-2-1-3-7-19/h1-4,6-8,12,16H,5,9-11,13-15,17-18H2
InChIKeyUXWLLNWAGKIWDS-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.25
Rot. Bonds4

About [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone

[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone (PubChem CID 45195230) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
PubChem CID45195230
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC2(CCCN(CCc3ccccc3)C2)C1
InChIInChI=1S/C22H27N3O/c26-21(20-8-4-12-23-16-20)25-15-11-22(18-25)10-5-13-24(17-22)14-9-19-6-2-1-3-7-19/h1-4,6-8,12,16H,5,9-11,13-15,17-18H2
InChIKeyUXWLLNWAGKIWDS-UHFFFAOYSA-N
XLogP3.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
(5-methylpyrazin-2-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45199217
[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-quinolin-3-ylmethanone
CID 45200874
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
[(5R)-9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridazin-4-ylmethanone
CID 97483411
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(E)-1-[(5R)-9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-2-ylprop-2-en-1-one
CID 25278228
(6-methyl-3-pyridinyl)-[9-(2-phenoxyethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649232
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132

Frequently Asked Questions

What is the IUPAC name of [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone?
The IUPAC name of [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone (CID 45195230) is [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC2(CCCN(CCc3ccccc3)C2)C1.
What is the InChIKey of [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone?
The InChIKey is UXWLLNWAGKIWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-21(20-8-4-12-23-16-20)25-15-11-22(18-25)10-5-13-24(17-22)14-9-19-6-2-1-3-7-19/h1-4,6-8,12,16H,5,9-11,13-15,17-18H2.
What are the key properties of [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone?
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone has a molecular weight of 349.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 45195230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).