(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane

C24H33N3 — CID 97150369

IUPAC(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCCc1ccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)nc1
InChIInChI=1S/C24H33N3/c1-3-20-9-10-23(25-16-20)18-27-13-11-24(12-14-27)15-22(17-26(2)19-24)21-7-5-4-6-8-21/h4-10,16,22H,3,11-15,17-19H2,1-2H3/t22-/m1/s1
InChIKeyAPZCBWJZNGNPPY-JOCHJYFZSA-N
MW363.55 g/mol
LogP4.35
Rot. Bonds4

About (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane

(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane (PubChem CID 97150369) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
PubChem CID97150369
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane
SMILESCCc1ccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)nc1
InChIInChI=1S/C24H33N3/c1-3-20-9-10-23(25-16-20)18-27-13-11-24(12-14-27)15-22(17-26(2)19-24)21-7-5-4-6-8-21/h4-10,16,22H,3,11-15,17-19H2,1-2H3/t22-/m1/s1
InChIKeyAPZCBWJZNGNPPY-JOCHJYFZSA-N
XLogP4.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-methyl-5-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazole
CID 97113099
4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]benzamide
CID 72933715
4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 97153293
3-[[(4R)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]pyridin-2-amine
CID 97147788
N-methyl-4-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,3-thiazol-2-amine
CID 97130325
(4R)-2-ethyl-9-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 97454779
2-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazole
CID 72837273
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylpiperazine
CID 118638744
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
5-[[(4S)-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97148905
5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 72924688
2-methyl-9-methylsulfonyl-4-phenyl-2,9-diazaspiro[5.5]undecane
CID 72928821

Frequently Asked Questions

What is the IUPAC name of (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane (CID 97150369) is (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane is CCc1ccc(CN2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)nc1.
What is the InChIKey of (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
The InChIKey is APZCBWJZNGNPPY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H33N3/c1-3-20-9-10-23(25-16-20)18-27-13-11-24(12-14-27)15-22(17-26(2)19-24)21-7-5-4-6-8-21/h4-10,16,22H,3,11-15,17-19H2,1-2H3/t22-/m1/s1.
What are the key properties of (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane?
(4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane has a molecular weight of 363.55 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-9-[(5-ethyl-2-pyridinyl)methyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97150369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).