N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride

C16H28Cl2N4O2 — CID 154921023

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
SMILESCOCCn1cncc1CNC(=O)C1(C)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-15(11-16(15)3-5-17-6-4-16)14(21)19-10-13-9-18-12-20(13)7-8-22-2;;/h9,12,17H,3-8,10-11H2,1-2H3,(H,19,21);2*1H
InChIKeyCZXLGLLQWMJLMP-UHFFFAOYSA-N
MW379.33 g/mol
LogP1.77
Rot. Bonds6

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride (PubChem CID 154921023) has the molecular formula C16H28Cl2N4O2 and a molecular weight of 379.33 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
PubChem CID154921023
Molecular FormulaC16H28Cl2N4O2
Molecular Weight379.33 g/mol
Exact Mass378.16
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride
SMILESCOCCn1cncc1CNC(=O)C1(C)CC12CCNCC2.Cl.Cl
InChIInChI=1S/C16H26N4O2.2ClH/c1-15(11-16(15)3-5-17-6-4-16)14(21)19-10-13-9-18-12-20(13)7-8-22-2;;/h9,12,17H,3-8,10-11H2,1-2H3,(H,19,21);2*1H
InChIKeyCZXLGLLQWMJLMP-UHFFFAOYSA-N
XLogP1.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126439982
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97201129
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 118788781
(2R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 126431414
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146046306

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride (CID 154921023) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride is COCCn1cncc1CNC(=O)C1(C)CC12CCNCC2.Cl.Cl.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
The InChIKey is CZXLGLLQWMJLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.2ClH/c1-15(11-16(15)3-5-17-6-4-16)14(21)19-10-13-9-18-12-20(13)7-8-22-2;;/h9,12,17H,3-8,10-11H2,1-2H3,(H,19,21);2*1H.
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride has a molecular weight of 379.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-methyl-6-azaspiro[2.5]octane-2-carboxamide;dihydrochloride is sourced from PubChem (CID 154921023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).