N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide

C22H27N5O3 — CID 171914203

IUPACN-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC(O)CN(c1cnccn1)C2)c1ccccc1
InChIInChI=1S/C22H27N5O3/c28-18-12-22(16-27(15-18)19-13-23-8-9-24-19)6-10-26(11-7-22)20(29)14-25-21(30)17-4-2-1-3-5-17/h1-5,8-9,13,18,28H,6-7,10-12,14-16H2,(H,25,30)
InChIKeyHDXGGWLHJDMHDC-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.09
Rot. Bonds4

About N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide

N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide (PubChem CID 171914203) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide
PubChem CID171914203
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC(O)CN(c1cnccn1)C2)c1ccccc1
InChIInChI=1S/C22H27N5O3/c28-18-12-22(16-27(15-18)19-13-23-8-9-24-19)6-10-26(11-7-22)20(29)14-25-21(30)17-4-2-1-3-5-17/h1-5,8-9,13,18,28H,6-7,10-12,14-16H2,(H,25,30)
InChIKeyHDXGGWLHJDMHDC-UHFFFAOYSA-N
XLogP1.09
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 171908625
N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide;cyclopropylbenzene
CID 171631390
5-methyl-N-[2-oxo-2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 18146017
N-[2-oxo-2-(3-oxo-2-phenyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethyl]benzamide
CID 24954333
9-[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-4-ol
CID 171906689
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-[4-[2-(1-adamantyl)acetyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 108534238
N-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-pyrazin-2-yl-6-azaspiro[2.4]heptan-1-yl]methyl]-1H-pyrazole-5-carboxamide
CID 162627782
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756
N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 136587839
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide (CID 171914203) is N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC2(CC1)CC(O)CN(c1cnccn1)C2)c1ccccc1.
What is the InChIKey of N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide?
The InChIKey is HDXGGWLHJDMHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c28-18-12-22(16-27(15-18)19-13-23-8-9-24-19)6-10-26(11-7-22)20(29)14-25-21(30)17-4-2-1-3-5-17/h1-5,8-9,13,18,28H,6-7,10-12,14-16H2,(H,25,30).
What are the key properties of N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide?
N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-2-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 171914203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).