[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone

C22H32N2O2 — CID 97477256

IUPAC[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)N3C)CC2)c1
InChIInChI=1S/C22H32N2O2/c1-17-4-3-5-19(14-17)21(25)24-12-10-22(11-13-24)9-8-20(23(22)2)16-26-15-18-6-7-18/h3-5,14,18,20H,6-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyJLRAENZGORLHCP-FQEVSTJZSA-N
MW356.51 g/mol
LogP3.49
Rot. Bonds5

About [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone

[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone (PubChem CID 97477256) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
PubChem CID97477256
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)N3C)CC2)c1
InChIInChI=1S/C22H32N2O2/c1-17-4-3-5-19(14-17)21(25)24-12-10-22(11-13-24)9-8-20(23(22)2)16-26-15-18-6-7-18/h3-5,14,18,20H,6-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyJLRAENZGORLHCP-FQEVSTJZSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone with MolForge

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Related Compounds

[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 131650087
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 97476796
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 131648091
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
[4-(cyclopropylmethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(3-methylphenyl)methanone
CID 91918024
1,3-benzodioxol-5-yl-[(2R)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97475319
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 121197545
cyclopenten-1-yl-[(2R)-2-(ethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476477
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
CID 131671735
(4-fluoro-2-methylphenyl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131658843

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone?
The IUPAC name of [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone (CID 97477256) is [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCC3(CC[C@@H](COCC4CC4)N3C)CC2)c1.
What is the InChIKey of [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone?
The InChIKey is JLRAENZGORLHCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17-4-3-5-19(14-17)21(25)24-12-10-22(11-13-24)9-8-20(23(22)2)16-26-15-18-6-7-18/h3-5,14,18,20H,6-13,15-16H2,1-2H3/t20-/m0/s1.
What are the key properties of [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone?
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone has a molecular weight of 356.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 97477256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).