9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane

C23H31N3 — CID 45227788

IUPAC9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CCCN2CCCC3(CCN(Cc4cccnc4)C3)C2)cc1
InChIInChI=1S/C23H31N3/c1-2-7-21(8-3-1)10-5-14-25-15-6-11-23(19-25)12-16-26(20-23)18-22-9-4-13-24-17-22/h1-4,7-9,13,17H,5-6,10-12,14-16,18-20H2
InChIKeySFRDLXKQUUCFRZ-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.00
Rot. Bonds6

About 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane

9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 45227788) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID45227788
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESc1ccc(CCCN2CCCC3(CCN(Cc4cccnc4)C3)C2)cc1
InChIInChI=1S/C23H31N3/c1-2-7-21(8-3-1)10-5-14-25-15-6-11-23(19-25)12-16-26(20-23)18-22-9-4-13-24-17-22/h1-4,7-9,13,17H,5-6,10-12,14-16,18-20H2
InChIKeySFRDLXKQUUCFRZ-UHFFFAOYSA-N
XLogP4.00
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,3-dimethylimidazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45208898
1-[(5R)-7-(3-phenylpropyl)-2,7-diazaspiro[4.4]nonan-2-yl]-3-pyridin-3-ylpropan-1-one
CID 97393132
2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45190723
2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724419
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 91578541
2-(pyridin-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171697210
(E)-1-[9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 45207374
(E)-1-[(5R)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-pyridin-4-ylprop-2-en-1-one
CID 25289959

Frequently Asked Questions

What is the IUPAC name of 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 45227788) is 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane is c1ccc(CCCN2CCCC3(CCN(Cc4cccnc4)C3)C2)cc1.
What is the InChIKey of 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is SFRDLXKQUUCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-2-7-21(8-3-1)10-5-14-25-15-6-11-23(19-25)12-16-26(20-23)18-22-9-4-13-24-17-22/h1-4,7-9,13,17H,5-6,10-12,14-16,18-20H2.
What are the key properties of 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane?
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 349.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 45227788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).