(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid

C18H26N4O3 — CID 139512542

IUPAC(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
SMILESCOc1cccnc1N1CCN([C@H]2CCC3(C2)CN(C(=O)O)C3)CC1
InChIInChI=1S/C18H26N4O3/c1-25-15-3-2-6-19-16(15)21-9-7-20(8-10-21)14-4-5-18(11-14)12-22(13-18)17(23)24/h2-3,6,14H,4-5,7-13H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyQLBCSYXEYYMEBE-AWEZNQCLSA-N
MW346.43 g/mol
LogP1.74
Rot. Bonds3

About (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid

(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid (PubChem CID 139512542) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
PubChem CID139512542
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
SMILESCOc1cccnc1N1CCN([C@H]2CCC3(C2)CN(C(=O)O)C3)CC1
InChIInChI=1S/C18H26N4O3/c1-25-15-3-2-6-19-16(15)21-9-7-20(8-10-21)14-4-5-18(11-14)12-22(13-18)17(23)24/h2-3,6,14H,4-5,7-13H2,1H3,(H,23,24)/t14-/m0/s1
InChIKeyQLBCSYXEYYMEBE-AWEZNQCLSA-N
XLogP1.74
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[4-(3-ethoxycarbonyloxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850132
ethyl 6-[4-(3-cyclopropyloxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849470
(6R)-6-[4-(3-pyrimidin-4-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid
CID 139512654
[2-[4-[(6R)-2-ethoxycarbonyl-2-azaspiro[3.4]octan-6-yl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 171850088
ethyl 6-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849927
ethyl 6-[4-[3-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849832
ethyl 6-[4-[3-(2,6-dimethylphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850104
ethyl 6-[4-[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171092638
ethyl 6-[4-[3-(3-fluoro-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849674
ethyl (6R)-6-[4-(3-piperazin-1-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850152
ethyl (6R)-6-[4-[3-(6-methoxypyrazin-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850086
ethyl 6-[4-(3-pyrimidin-5-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 139512556

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid (CID 139512542) is (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid is COc1cccnc1N1CCN([C@H]2CCC3(C2)CN(C(=O)O)C3)CC1.
What is the InChIKey of (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is QLBCSYXEYYMEBE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-25-15-3-2-6-19-16(15)21-9-7-20(8-10-21)14-4-5-18(11-14)12-22(13-18)17(23)24/h2-3,6,14H,4-5,7-13H2,1H3,(H,23,24)/t14-/m0/s1.
What are the key properties of (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid?
(6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 346.43 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 139512542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).