[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone

C20H30N4O2 — CID 97486946

IUPAC[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C20H30N4O2/c1-22-12-18(14-26-13-17-5-4-7-21-11-17)20(15-22)6-10-24(16-20)19(25)23-8-2-3-9-23/h4-5,7,11,18H,2-3,6,8-10,12-16H2,1H3/t18-,20-/m1/s1
InChIKeyGYFVTIPECJZDOX-UYAOXDASSA-N
MW358.49 g/mol
LogP2.07
Rot. Bonds4

About [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone

[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97486946) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID97486946
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)N3CCCC3)C2)C1
InChIInChI=1S/C20H30N4O2/c1-22-12-18(14-26-13-17-5-4-7-21-11-17)20(15-22)6-10-24(16-20)19(25)23-8-2-3-9-23/h4-5,7,11,18H,2-3,6,8-10,12-16H2,1H3/t18-,20-/m1/s1
InChIKeyGYFVTIPECJZDOX-UYAOXDASSA-N
XLogP2.07
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxycyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone;bis(2,2,2-trifluoroacetic acid)
CID 171685851
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
[5,5-dioxo-8-(pyridin-3-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 131657758
(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124815069
(5R,9S)-7-methyl-2-[(5-methylfuran-2-yl)methyl]-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155844740
(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689383
(2R,3R)-N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492749
N-(pyridin-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131645501
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
[(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
1-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-2-phenylethanone
CID 97484939

Frequently Asked Questions

What is the IUPAC name of [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone (CID 97486946) is [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone is CN1C[C@H](COCc2cccnc2)[C@]2(CCN(C(=O)N3CCCC3)C2)C1.
What is the InChIKey of [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GYFVTIPECJZDOX-UYAOXDASSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-22-12-18(14-26-13-17-5-4-7-21-11-17)20(15-22)6-10-24(16-20)19(25)23-8-2-3-9-23/h4-5,7,11,18H,2-3,6,8-10,12-16H2,1H3/t18-,20-/m1/s1.
What are the key properties of [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone?
[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 358.49 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97486946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).