(6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane

C20H30N4O — CID 176910502

IUPAC(6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
SMILESc1cnc(OC2CCC2)c(N2CCN([C@@H]3CCC4(CNC4)C3)CC2)c1
InChIInChI=1S/C20H30N4O/c1-3-17(4-1)25-19-18(5-2-8-22-19)24-11-9-23(10-12-24)16-6-7-20(13-16)14-21-15-20/h2,5,8,16-17,21H,1,3-4,6-7,9-15H2/t16-/m1/s1
InChIKeyQGSVVELAVKCQAN-MRXNPFEDSA-N
MW342.49 g/mol
LogP2.28
Rot. Bonds4

About (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane

(6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane (PubChem CID 176910502) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
PubChem CID176910502
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name(6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
SMILESc1cnc(OC2CCC2)c(N2CCN([C@@H]3CCC4(CNC4)C3)CC2)c1
InChIInChI=1S/C20H30N4O/c1-3-17(4-1)25-19-18(5-2-8-22-19)24-11-9-23(10-12-24)16-6-7-20(13-16)14-21-15-20/h2,5,8,16-17,21H,1,3-4,6-7,9-15H2/t16-/m1/s1
InChIKeyQGSVVELAVKCQAN-MRXNPFEDSA-N
XLogP2.28
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane with MolForge

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Related Compounds

6-[4-(3-pyrazin-2-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane
CID 171849644
ethyl (6R)-6-[4-(3-piperazin-1-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850152
ethyl 6-[4-(3-cyclopropyloxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849470
ethyl 6-[4-[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171092638
[2-[4-[(6R)-2-ethoxycarbonyl-2-azaspiro[3.4]octan-6-yl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 171850088
(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
CID 139512542
1-(3,3-dimethylcyclopentyl)-4-(3-methyl-2-pyridinyl)piperazine
CID 146039121
ethyl 6-[4-[3-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849832
1-[2-(3-aminocyclobutyl)oxy-3-pyridinyl]piperidine-4-carbonitrile;hydrochloride
CID 67996042
ethyl 6-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849927
2-cyclopentyloxy-3-fluoropyridine
CID 126955068
2-cyclohexyloxypyridine-3-carbaldehyde
CID 42553139

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
The IUPAC name of (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane (CID 176910502) is (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane.
What is the SMILES notation for (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
The canonical SMILES for (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane is c1cnc(OC2CCC2)c(N2CCN([C@@H]3CCC4(CNC4)C3)CC2)c1.
What is the InChIKey of (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
The InChIKey is QGSVVELAVKCQAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-17(4-1)25-19-18(5-2-8-22-19)24-11-9-23(10-12-24)16-6-7-20(13-16)14-21-15-20/h2,5,8,16-17,21H,1,3-4,6-7,9-15H2/t16-/m1/s1.
What are the key properties of (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane?
(6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane has a molecular weight of 342.49 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[4-(2-cyclobutyloxy-3-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane is sourced from PubChem (CID 176910502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).