(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone

C19H26N2O2 — CID 124819663

IUPAC(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
SMILESCc1cccc(C(=O)N2CC[C@]3(CCN3C[C@H]3CCCO3)C2)c1
InChIInChI=1S/C19H26N2O2/c1-15-4-2-5-16(12-15)18(22)20-9-7-19(14-20)8-10-21(19)13-17-6-3-11-23-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3/t17-,19+/m1/s1
InChIKeyGLVIVQROPZRUQB-MJGOQNOKSA-N
MW314.43 g/mol
LogP2.46
Rot. Bonds3

About (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone

(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone (PubChem CID 124819663) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
PubChem CID124819663
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
SMILESCc1cccc(C(=O)N2CC[C@]3(CCN3C[C@H]3CCCO3)C2)c1
InChIInChI=1S/C19H26N2O2/c1-15-4-2-5-16(12-15)18(22)20-9-7-19(14-20)8-10-21(19)13-17-6-3-11-23-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3/t17-,19+/m1/s1
InChIKeyGLVIVQROPZRUQB-MJGOQNOKSA-N
XLogP2.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
CID 131678940
1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110632671
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
(3-methylphenyl)-[(5R)-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97374282
[3-[(4-hydroxypiperidin-1-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 131678797
(3R)-3-methyl-1-(3-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087371
[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 127248040
[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 124944302
[3-(cyclopropylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 131648091
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
3-(3-fluoro-3-methylpyrrolidine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 136519074
(3,5-dimethyl-1,2-oxazol-4-yl)-[1-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131679299

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone?
The IUPAC name of (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone (CID 124819663) is (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone is Cc1cccc(C(=O)N2CC[C@]3(CCN3C[C@H]3CCCO3)C2)c1.
What is the InChIKey of (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone?
The InChIKey is GLVIVQROPZRUQB-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-4-2-5-16(12-15)18(22)20-9-7-19(14-20)8-10-21(19)13-17-6-3-11-23-17/h2,4-5,12,17H,3,6-11,13-14H2,1H3/t17-,19+/m1/s1.
What are the key properties of (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone?
(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone is sourced from PubChem (CID 124819663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).