(4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

C17H23N3O2 — CID 97482737

IUPAC(4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NC[C@@H](COc2cccnc2)[C@]12CCN(CC1CC1)C2
InChIInChI=1S/C17H23N3O2/c21-16-17(5-7-20(12-17)10-13-3-4-13)14(8-19-16)11-22-15-2-1-6-18-9-15/h1-2,6,9,13-14H,3-5,7-8,10-12H2,(H,19,21)/t14-,17+/m0/s1
InChIKeyRZACTOFEPLJCID-WMLDXEAASA-N
MW301.39 g/mol
LogP1.31
Rot. Bonds5

About (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

(4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97482737) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97482737
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1NC[C@@H](COc2cccnc2)[C@]12CCN(CC1CC1)C2
InChIInChI=1S/C17H23N3O2/c21-16-17(5-7-20(12-17)10-13-3-4-13)14(8-19-16)11-22-15-2-1-6-18-9-15/h1-2,6,9,13-14H,3-5,7-8,10-12H2,(H,19,21)/t14-,17+/m0/s1
InChIKeyRZACTOFEPLJCID-WMLDXEAASA-N
XLogP1.31
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97483654
(4R,5S)-7-(furan-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97485283
(4R,5S)-7-[(3-methylthiophen-2-yl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 125250254
(4R,5R)-N,N-dimethyl-1-oxo-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonane-7-sulfonamide
CID 124798897
(4S,5S)-4-(pyridin-3-yloxymethyl)-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155848909
(4S,5S)-7-[(3-fluorophenyl)methyl]-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155843326
(4R,5S)-4-(pyridin-3-yloxymethyl)-7-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155862161
(4S,5S)-7-(5-fluoropyrimidin-2-yl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155851132
(5S)-9-(cyclopropylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97485813
(4R,5S)-7-(3-hydroxycyclobutanecarbonyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155865978
(4S,5R)-7-methyl-4-(pyridin-2-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 124814377
(8R)-2-(oxan-4-ylmethyl)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 124893160

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97482737) is (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(CC1CC1)C2.
What is the InChIKey of (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is RZACTOFEPLJCID-WMLDXEAASA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-17(5-7-20(12-17)10-13-3-4-13)14(8-19-16)11-22-15-2-1-6-18-9-15/h1-2,6,9,13-14H,3-5,7-8,10-12H2,(H,19,21)/t14-,17+/m0/s1.
What are the key properties of (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?
(4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-7-(cyclopropylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97482737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).