[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone

C20H28N2O3 — CID 131671735

IUPAC[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
SMILESCN1CCC(COCC2CC2)CC12CN(C(=O)c1cccc(O)c1)C2
InChIInChI=1S/C20H28N2O3/c1-21-8-7-16(12-25-11-15-5-6-15)10-20(21)13-22(14-20)19(24)17-3-2-4-18(23)9-17/h2-4,9,15-16,23H,5-8,10-14H2,1H3
InChIKeyGNCMFOQWLMITPQ-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.36
Rot. Bonds5

About [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone

[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone (PubChem CID 131671735) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
PubChem CID131671735
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
SMILESCN1CCC(COCC2CC2)CC12CN(C(=O)c1cccc(O)c1)C2
InChIInChI=1S/C20H28N2O3/c1-21-8-7-16(12-25-11-15-5-6-15)10-20(21)13-22(14-20)19(24)17-3-2-4-18(23)9-17/h2-4,9,15-16,23H,5-8,10-14H2,1H3
InChIKeyGNCMFOQWLMITPQ-UHFFFAOYSA-N
XLogP2.36
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
CID 124813600
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-3-ylmethanone
CID 131669215
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 131671768
(1-methylpyrazol-4-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 133137730
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 131669217
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(8S)-8-(methoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124821881
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1H-pyrazol-5-yl)methanone
CID 131671745
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
[4-(bromomethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 80677526
(1-methylpyrazol-3-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 133141638
[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256

Frequently Asked Questions

What is the IUPAC name of [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone?
The IUPAC name of [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone (CID 131671735) is [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone.
What is the SMILES notation for [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone?
The canonical SMILES for [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone is CN1CCC(COCC2CC2)CC12CN(C(=O)c1cccc(O)c1)C2.
What is the InChIKey of [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone?
The InChIKey is GNCMFOQWLMITPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-21-8-7-16(12-25-11-15-5-6-15)10-20(21)13-22(14-20)19(24)17-3-2-4-18(23)9-17/h2-4,9,15-16,23H,5-8,10-14H2,1H3.
What are the key properties of [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone?
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone has a molecular weight of 344.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 131671735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).