9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane

C23H31N3 — CID 97370659

IUPAC9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCC3(CC2)CCN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C23H31N3/c1-20-4-6-21(7-5-20)18-25-13-8-23(9-14-25)10-15-26(16-11-23)19-22-3-2-12-24-17-22/h2-7,12,17H,8-11,13-16,18-19H2,1H3
InChIKeyXYBSWCDFERPOOP-UHFFFAOYSA-N
MW349.52 g/mol
LogP4.27
Rot. Bonds4

About 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane

9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane (PubChem CID 97370659) has the molecular formula C23H31N3 and a molecular weight of 349.52 g/mol. Its IUPAC name is 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
PubChem CID97370659
Molecular FormulaC23H31N3
Molecular Weight349.52 g/mol
Exact Mass349.25
IUPAC Name9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
SMILESCc1ccc(CN2CCC3(CC2)CCN(Cc2cccnc2)CC3)cc1
InChIInChI=1S/C23H31N3/c1-20-4-6-21(7-5-20)18-25-13-8-23(9-14-25)10-15-26(16-11-23)19-22-3-2-12-24-17-22/h2-7,12,17H,8-11,13-16,18-19H2,1H3
InChIKeyXYBSWCDFERPOOP-UHFFFAOYSA-N
XLogP4.27
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazine
CID 46963018
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
4-[(4-methylphenyl)methyl]-1-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-4-ol
CID 166219449
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
1-[9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-pyridin-3-ylethanone
CID 97370728
N-(4-methylphenyl)-1-(pyridin-3-ylmethyl)piperidin-4-amine
CID 4040204
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
3-[[(3S)-3-(ethoxymethyl)-3-[2-(4-methylphenyl)ethyl]pyrrolidin-1-yl]methyl]pyridine
CID 166506565
(3-hydroxycyclobutyl)-[9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 131686523
8-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155845530

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane (CID 97370659) is 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane is Cc1ccc(CN2CCC3(CC2)CCN(Cc2cccnc2)CC3)cc1.
What is the InChIKey of 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is XYBSWCDFERPOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3/c1-20-4-6-21(7-5-20)18-25-13-8-23(9-14-25)10-15-26(16-11-23)19-22-3-2-12-24-17-22/h2-7,12,17H,8-11,13-16,18-19H2,1H3.
What are the key properties of 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane?
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 349.52 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97370659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).