[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone

C15H25N3O — CID 125143151

IUPAC[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC[C@@H](C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-6-5-8-18(9-7-12)14(19)13-10-16-11-17(13)4/h10-12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyCGQFRDGFICTJNH-GFCCVEGCSA-N
MW263.38 g/mol
LogP2.71
Rot. Bonds1

About [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone

[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 125143151) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID125143151
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name[(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCC[C@@H](C(C)(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-15(2,3)12-6-5-8-18(9-7-12)14(19)13-10-16-11-17(13)4/h10-12H,5-9H2,1-4H3/t12-/m1/s1
InChIKeyCGQFRDGFICTJNH-GFCCVEGCSA-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

[(4R)-4-tert-butylazepan-1-yl]-pyrimidin-5-ylmethanone
CID 125137843
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
(3-bromopiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103512083
(4-tert-butylazepan-1-yl)-(1-methylimidazol-4-yl)methanone
CID 118771341
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(3-methylimidazol-4-yl)methanone
CID 155998373
[3-(ethylamino)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510154
[3-(2-bromoethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512097
[(4R)-4-tert-butylazepan-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 125169236
ethyl 1-(3-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103511701

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone (CID 125143151) is [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCC[C@@H](C(C)(C)C)CC1.
What is the InChIKey of [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is CGQFRDGFICTJNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)12-6-5-8-18(9-7-12)14(19)13-10-16-11-17(13)4/h10-12H,5-9H2,1-4H3/t12-/m1/s1.
What are the key properties of [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone?
[(4R)-4-tert-butylazepan-1-yl]-(3-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 [(4R)-4-tert-butylazepan-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 125143151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).