(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone

C21H31N3O2 — CID 131689383

IUPAC(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCC1CC(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCc3ccccn3)C2)C1
InChIInChI=1S/C21H31N3O2/c1-16-9-17(10-16)20(25)24-8-6-21(15-24)14-23(2)11-18(21)12-26-13-19-5-3-4-7-22-19/h3-5,7,16-18H,6,8-15H2,1-2H3/t16?,17?,18-,21-/m1/s1
InChIKeyUXWGOPUQGYPRPO-YMPMHWPESA-N
MW357.50 g/mol
LogP2.42
Rot. Bonds5

About (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone

(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone (PubChem CID 131689383) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
PubChem CID131689383
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
SMILESCC1CC(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCc3ccccn3)C2)C1
InChIInChI=1S/C21H31N3O2/c1-16-9-17(10-16)20(25)24-8-6-21(15-24)14-23(2)11-18(21)12-26-13-19-5-3-4-7-22-19/h3-5,7,16-18H,6,8-15H2,1-2H3/t16?,17?,18-,21-/m1/s1
InChIKeyUXWGOPUQGYPRPO-YMPMHWPESA-N
XLogP2.42
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone with MolForge

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Related Compounds

[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(oxolan-3-yl)methanone
CID 131689100
(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689406
(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane
CID 124809519
(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97477757
2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole
CID 124814501
[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone
CID 97486946
(3-hydroxycyclobutyl)-[(5R,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131682884
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939
2-methyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133139969
[(5S,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-naphthalen-2-ylmethanone
CID 124821690
2-(2,3-difluorophenyl)-1-[(5R,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 155865225
N,N-dimethyl-3-(pyridin-2-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 131644474

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone (CID 131689383) is (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone is CC1CC(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCc3ccccn3)C2)C1.
What is the InChIKey of (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is UXWGOPUQGYPRPO-YMPMHWPESA-N. The full InChI is InChI=1S/C21H31N3O2/c1-16-9-17(10-16)20(25)24-8-6-21(15-24)14-23(2)11-18(21)12-26-13-19-5-3-4-7-22-19/h3-5,7,16-18H,6,8-15H2,1-2H3/t16?,17?,18-,21-/m1/s1.
What are the key properties of (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone?
(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 131689383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).