2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C17H24Cl2N4O2 — CID 135144893

IUPAC2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCn1c(C2CCN(C3CC4(CCN(C(=O)O)C4)C3)CC2)nc(Cl)c1Cl
InChIInChI=1S/C17H24Cl2N4O2/c1-21-14(19)13(18)20-15(21)11-2-5-22(6-3-11)12-8-17(9-12)4-7-23(10-17)16(24)25/h11-12H,2-10H2,1H3,(H,24,25)
InChIKeyCICCXVUKUQZTGQ-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.44
Rot. Bonds2

About 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 135144893) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
PubChem CID135144893
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC Name2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
SMILESCn1c(C2CCN(C3CC4(CCN(C(=O)O)C4)C3)CC2)nc(Cl)c1Cl
InChIInChI=1S/C17H24Cl2N4O2/c1-21-14(19)13(18)20-15(21)11-2-5-22(6-3-11)12-8-17(9-12)4-7-23(10-17)16(24)25/h11-12H,2-10H2,1H3,(H,24,25)
InChIKeyCICCXVUKUQZTGQ-UHFFFAOYSA-N
XLogP3.44
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid with MolForge

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Related Compounds

2-[4-(5-chloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144853
2-[4-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144899
2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144992
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 118295008
2-[4-(1-methylpyrrolidin-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144813
2-(4-piperidin-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144917
2-[4-(2-ethyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144845
2-[4-[ethyl(methoxy)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 155408012
ethyl 2-[4-(1,5-dimethylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295196
ethyl 2-[4-(1-methyltetrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295269
2-[4-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144770
tert-butyl 2-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118303221

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 135144893) is 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is Cn1c(C2CCN(C3CC4(CCN(C(=O)O)C4)C3)CC2)nc(Cl)c1Cl.
What is the InChIKey of 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is CICCXVUKUQZTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N4O2/c1-21-14(19)13(18)20-15(21)11-2-5-22(6-3-11)12-8-17(9-12)4-7-23(10-17)16(24)25/h11-12H,2-10H2,1H3,(H,24,25).
What are the key properties of 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?
2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 387.31 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dichloro-1-methylimidazol-2-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 135144893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).