2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone

C14H19N3O2 — CID 97472798

IUPAC2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(CO)N1CC2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C14H19N3O2/c18-8-13(19)17-10-14(11-17)3-6-16(9-14)7-12-1-4-15-5-2-12/h1-2,4-5,18H,3,6-11H2
InChIKeyBXBYZVVTVHFHBS-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.11
Rot. Bonds3

About 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone

2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone (PubChem CID 97472798) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
PubChem CID97472798
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
SMILESO=C(CO)N1CC2(CCN(Cc3ccncc3)C2)C1
InChIInChI=1S/C14H19N3O2/c18-8-13(19)17-10-14(11-17)3-6-16(9-14)7-12-1-4-15-5-2-12/h1-2,4-5,18H,3,6-11H2
InChIKeyBXBYZVVTVHFHBS-UHFFFAOYSA-N
XLogP0.11
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829242
2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369823
2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369827
2-(dimethylamino)-1-[11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl]ethanone
CID 97399466
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
2-[3-(pyridin-4-ylmethyl)-3-azaspiro[5.5]undecan-9-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 118743251
2-[(5-methylthiophen-2-yl)methyl]-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829044
4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile
CID 3234423
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
phenyl 2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3235523
furan-2-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
CID 3234982

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone (CID 97472798) is 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone is O=C(CO)N1CC2(CCN(Cc3ccncc3)C2)C1.
What is the InChIKey of 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
The InChIKey is BXBYZVVTVHFHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-8-13(19)17-10-14(11-17)3-6-16(9-14)7-12-1-4-15-5-2-12/h1-2,4-5,18H,3,6-11H2.
What are the key properties of 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone?
2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone is sourced from PubChem (CID 97472798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).