2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

C18H23ClN4O — CID 120908350

IUPAC2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1cnc(Oc2ccc(CN3CCC4(CCNC4)C3)cc2)cn1
InChIInChI=1S/C18H22N4O.ClH/c1-3-16(23-17-11-19-8-9-21-17)4-2-15(1)12-22-10-6-18(14-22)5-7-20-13-18;/h1-4,8-9,11,20H,5-7,10,12-14H2;1H
InChIKeyXPAKSAAMOZHMND-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.88
Rot. Bonds4

About 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride

2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (PubChem CID 120908350) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.

Molecular Properties

Compound Name2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
PubChem CID120908350
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
SMILESCl.c1cnc(Oc2ccc(CN3CCC4(CCNC4)C3)cc2)cn1
InChIInChI=1S/C18H22N4O.ClH/c1-3-16(23-17-11-19-8-9-21-17)4-2-15(1)12-22-10-6-18(14-22)5-7-20-13-18;/h1-4,8-9,11,20H,5-7,10,12-14H2;1H
InChIKeyXPAKSAAMOZHMND-UHFFFAOYSA-N
XLogP2.88
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-1-[(4-pyrazin-2-yloxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 120780919
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233
2-[(4-imidazol-1-ylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908652
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907742
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695
2-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-8-methylimidazo[1,2-a]pyridine;hydrochloride
CID 120908582
4-[[4-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)phenoxy]methyl]-2-methyl-1,3-thiazole
CID 120907731
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
2-[(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907820
2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120907713

Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The IUPAC name of 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride (CID 120908350) is 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride.
What is the SMILES notation for 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The canonical SMILES for 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is Cl.c1cnc(Oc2ccc(CN3CCC4(CCNC4)C3)cc2)cn1.
What is the InChIKey of 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
The InChIKey is XPAKSAAMOZHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.ClH/c1-3-16(23-17-11-19-8-9-21-17)4-2-15(1)12-22-10-6-18(14-22)5-7-20-13-18;/h1-4,8-9,11,20H,5-7,10,12-14H2;1H.
What are the key properties of 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride?
2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride has a molecular weight of 346.86 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyrazin-2-yloxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride is sourced from PubChem (CID 120908350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).