(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone

C15H25N3O — CID 118771341

IUPAC(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-6-5-8-18(9-7-12)14(19)13-10-17(4)11-16-13/h10-12H,5-9H2,1-4H3
InChIKeyGFGLFUJCXIITJW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds1

About (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone

(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone (PubChem CID 118771341) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
PubChem CID118771341
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-6-5-8-18(9-7-12)14(19)13-10-17(4)11-16-13/h10-12H,5-9H2,1-4H3
InChIKeyGFGLFUJCXIITJW-UHFFFAOYSA-N
XLogP2.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
(4-hydroxypiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 103817135
(3S)-1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylic acid
CID 107971610
2-(4-tert-butylazepane-1-carbonyl)pyridine-4-carboxylic acid
CID 122055710
[4-(aminomethyl)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970864
[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
CID 125143151
[4-(ethylamino)piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 107970772
1-(1-methylimidazole-4-carbonyl)piperidine-3-sulfonamide
CID 103859885
[(4R)-4-tert-butylazepan-1-yl]-pyrimidin-5-ylmethanone
CID 125137843
(3-chloro-4-methylpiperidin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 107975437
[(4R)-4-tert-butylazepan-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 125169236
3-methyl-1-(1-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 114278485

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone?
The IUPAC name of (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone (CID 118771341) is (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCCC(C(C)(C)C)CC2)c1.
What is the InChIKey of (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone?
The InChIKey is GFGLFUJCXIITJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)12-6-5-8-18(9-7-12)14(19)13-10-17(4)11-16-13/h10-12H,5-9H2,1-4H3.
What are the key properties of (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone?
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone has a molecular weight of 263.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 118771341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).