[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone

C19H27N3O2 — CID 124813600

IUPAC[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
SMILESCN1CC[C@H](COCC2CC2)CC12CN(C(=O)c1ccncc1)C2
InChIInChI=1S/C19H27N3O2/c1-21-9-6-16(12-24-11-15-2-3-15)10-19(21)13-22(14-19)18(23)17-4-7-20-8-5-17/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3/t16-/m0/s1
InChIKeyANXHTHZWZJYZBZ-INIZCTEOSA-N
MW329.44 g/mol
LogP2.04
Rot. Bonds5

About [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone

[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone (PubChem CID 124813600) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
PubChem CID124813600
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone
SMILESCN1CC[C@H](COCC2CC2)CC12CN(C(=O)c1ccncc1)C2
InChIInChI=1S/C19H27N3O2/c1-21-9-6-16(12-24-11-15-2-3-15)10-19(21)13-22(14-19)18(23)17-4-7-20-8-5-17/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3/t16-/m0/s1
InChIKeyANXHTHZWZJYZBZ-INIZCTEOSA-N
XLogP2.04
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 155844574
[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-hydroxyphenyl)methanone
CID 131671735
[(8R)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 124819424
(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-3-ylmethanone
CID 131669215
[8-(ethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyrazin-2-ylmethanone
CID 131671724
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridazin-4-ylmethanone
CID 131671768
[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-(1H-pyrazol-5-yl)methanone
CID 131671745
[5-methyl-8-(pyridin-2-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-2-ylmethanone
CID 131669217
(1-methylpyrazol-3-yl)-[5-methyl-8-(pyridin-3-ylmethoxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 133141638
(6-methyl-3-pyridinyl)-[(8R)-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 124817783
(6-methyl-3-pyridinyl)-[5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonan-2-yl]methanone
CID 131650235

Frequently Asked Questions

What is the IUPAC name of [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone (CID 124813600) is [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone is CN1CC[C@H](COCC2CC2)CC12CN(C(=O)c1ccncc1)C2.
What is the InChIKey of [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone?
The InChIKey is ANXHTHZWZJYZBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21-9-6-16(12-24-11-15-2-3-15)10-19(21)13-22(14-19)18(23)17-4-7-20-8-5-17/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3/t16-/m0/s1.
What are the key properties of [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone?
[(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone has a molecular weight of 329.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 124813600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).