(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane

C18H31N3O — CID 165427310

IUPAC(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCCCCc1ncc(CN2CCC[C@@]3(CCC[C@H]3OC)C2)[nH]1
InChIInChI=1S/C18H31N3O/c1-3-4-8-17-19-12-15(20-17)13-21-11-6-10-18(14-21)9-5-7-16(18)22-2/h12,16H,3-11,13-14H2,1-2H3,(H,19,20)/t16-,18+/m1/s1
InChIKeyZCTNKXRALOMBDR-AEFFLSMTSA-N
MW305.47 g/mol
LogP3.53
Rot. Bonds6

About (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane

(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane (PubChem CID 165427310) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane.

Molecular Properties

Compound Name(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
PubChem CID165427310
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
SMILESCCCCc1ncc(CN2CCC[C@@]3(CCC[C@H]3OC)C2)[nH]1
InChIInChI=1S/C18H31N3O/c1-3-4-8-17-19-12-15(20-17)13-21-11-6-10-18(14-21)9-5-7-16(18)22-2/h12,16H,3-11,13-14H2,1-2H3,(H,19,20)/t16-,18+/m1/s1
InChIKeyZCTNKXRALOMBDR-AEFFLSMTSA-N
XLogP3.53
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane with MolForge

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Related Compounds

(5S,6S)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-6-methoxy-1-oxa-9-azaspiro[4.5]decane
CID 110156456
(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-prop-2-enylpiperidine-3-carboxylic acid
CID 97136190
[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25274405
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
(5R)-2-[(2-butyl-1H-imidazol-5-yl)methyl]-7-(2-cyclohexylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95877011
(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 26393246
1-[(2-butyl-1H-imidazol-5-yl)methyl]-N-(3,4-dimethoxyphenyl)piperidin-3-amine
CID 45246172
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
(4R,5R)-7-[(3,7-dimethyl-1H-indol-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135094596
2-[(3S)-1-[(2-butyl-1H-imidazol-5-yl)methyl]piperidin-3-yl]-1,3-thiazole
CID 124956944
(4R,5R)-4-methoxy-7-[(4-pyridin-2-ylphenyl)methyl]-7-azaspiro[4.5]decane
CID 165427222

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The IUPAC name of (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane (CID 165427310) is (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane.
What is the SMILES notation for (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The canonical SMILES for (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane is CCCCc1ncc(CN2CCC[C@@]3(CCC[C@H]3OC)C2)[nH]1.
What is the InChIKey of (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
The InChIKey is ZCTNKXRALOMBDR-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H31N3O/c1-3-4-8-17-19-12-15(20-17)13-21-11-6-10-18(14-21)9-5-7-16(18)22-2/h12,16H,3-11,13-14H2,1-2H3,(H,19,20)/t16-,18+/m1/s1.
What are the key properties of (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane?
(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane has a molecular weight of 305.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane is sourced from PubChem (CID 165427310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).